smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(COc2cccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)c1 ZINC000303048654 971475834 /nfs/dbraw/zinc/47/58/34/971475834.db2.gz RFEFATFGPDXOIQ-UHFFFAOYSA-N 1 3 421.585 3.862 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000303157154 971533643 /nfs/dbraw/zinc/53/36/43/971533643.db2.gz UMCQJPOYUSCSFC-LJQANCHMSA-N 1 3 400.592 3.607 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198633 971555312 /nfs/dbraw/zinc/55/53/12/971555312.db2.gz NUMJPOOFOLIVNY-ROUUACIJSA-N 1 3 410.389 3.772 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198636 971555672 /nfs/dbraw/zinc/55/56/72/971555672.db2.gz NUMJPOOFOLIVNY-ZWKOTPCHSA-N 1 3 410.389 3.772 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3cccc(C[NH+](CC)CC)c3)cc2)CC1 ZINC000303687064 971963174 /nfs/dbraw/zinc/96/31/74/971963174.db2.gz KSIIGGRPLUFNKQ-UHFFFAOYSA-N 1 3 408.590 3.600 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000542464027 1013411475 /nfs/dbraw/zinc/41/14/75/1013411475.db2.gz WDZJLNZLDWUIJU-MSOLQXFVSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000542464027 1013411480 /nfs/dbraw/zinc/41/14/80/1013411480.db2.gz WDZJLNZLDWUIJU-MSOLQXFVSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532812 1013477140 /nfs/dbraw/zinc/47/71/40/1013477140.db2.gz SVROODGZMHGVKV-BXWFABGCSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532812 1013477143 /nfs/dbraw/zinc/47/71/43/1013477143.db2.gz SVROODGZMHGVKV-BXWFABGCSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531478 1013473901 /nfs/dbraw/zinc/47/39/01/1013473901.db2.gz KXYDJSZBGFJPMF-ZMSDIMECSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531478 1013473907 /nfs/dbraw/zinc/47/39/07/1013473907.db2.gz KXYDJSZBGFJPMF-ZMSDIMECSA-N 1 3 401.378 3.976 20 0 HHADHO CN1CCC[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057819217 965555243 /nfs/dbraw/zinc/55/52/43/965555243.db2.gz VOWCSXZFBSMYMW-QHCPKHFHSA-N 1 3 406.574 3.843 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100478 1013669428 /nfs/dbraw/zinc/66/94/28/1013669428.db2.gz FQFYYDCYQOXPQB-LADGPHEKSA-N 1 3 409.574 3.879 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100478 1013669436 /nfs/dbraw/zinc/66/94/36/1013669436.db2.gz FQFYYDCYQOXPQB-LADGPHEKSA-N 1 3 409.574 3.879 20 0 HHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000538102628 1013670563 /nfs/dbraw/zinc/67/05/63/1013670563.db2.gz MNODIZMVBBRVAG-MRXNPFEDSA-N 1 3 421.994 3.550 20 0 HHADHO CCc1ccc([C@H](CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000063144298 966759714 /nfs/dbraw/zinc/75/97/14/966759714.db2.gz KWVNSSQWJRAVOS-DEOSSOPVSA-N 1 3 424.658 3.980 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000063464290 966867669 /nfs/dbraw/zinc/86/76/69/966867669.db2.gz XVUOSPNEXMGMBI-ISKFKSNPSA-N 1 3 408.590 3.809 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000063464290 966867672 /nfs/dbraw/zinc/86/76/72/966867672.db2.gz XVUOSPNEXMGMBI-ISKFKSNPSA-N 1 3 408.590 3.809 20 0 HHADHO CC[C@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141419 1013703089 /nfs/dbraw/zinc/70/30/89/1013703089.db2.gz MITCBTRRNSJXOT-CYFREDJKSA-N 1 3 409.574 3.905 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000065428983 967461286 /nfs/dbraw/zinc/46/12/86/967461286.db2.gz CBZBDKIROFUVEM-IBGZPJMESA-N 1 3 413.562 3.612 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000065521758 967505918 /nfs/dbraw/zinc/50/59/18/967505918.db2.gz QBBHZJQDZQABDO-RDPSFJRHSA-N 1 3 406.574 3.917 20 0 HHADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1CCC(Cc2ccccc2)CC1 ZINC000538218392 1013769806 /nfs/dbraw/zinc/76/98/06/1013769806.db2.gz WHLOCGJYLVPCGL-XZOQPEGZSA-N 1 3 406.636 3.667 20 0 HHADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099616 1013797319 /nfs/dbraw/zinc/79/73/19/1013797319.db2.gz NUDFMWZZZACRDT-MRXNPFEDSA-N 1 3 419.791 3.648 20 0 HHADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099616 1013797326 /nfs/dbraw/zinc/79/73/26/1013797326.db2.gz NUDFMWZZZACRDT-MRXNPFEDSA-N 1 3 419.791 3.648 20 0 HHADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065866841 968688668 /nfs/dbraw/zinc/68/86/68/968688668.db2.gz AAPDHZILCBDTCF-FQEVSTJZSA-N 1 3 419.610 3.516 20 0 HHADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065866841 968688674 /nfs/dbraw/zinc/68/86/74/968688674.db2.gz AAPDHZILCBDTCF-FQEVSTJZSA-N 1 3 419.610 3.516 20 0 HHADHO COc1cc([C@@H](C)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)cn1 ZINC000554362675 1013921853 /nfs/dbraw/zinc/92/18/53/1013921853.db2.gz XQYBKHWXXWBJHE-GOSISDBHSA-N 1 3 401.526 3.951 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)c1 ZINC000195720494 969980609 /nfs/dbraw/zinc/98/06/09/969980609.db2.gz YFQULKSMJKKNHF-ZEQRLZLVSA-N 1 3 424.589 3.743 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000195746326 969998058 /nfs/dbraw/zinc/99/80/58/969998058.db2.gz ZNLJOEOLPYGGNE-XMMPIXPASA-N 1 3 424.589 3.783 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000195746326 969998065 /nfs/dbraw/zinc/99/80/65/969998065.db2.gz ZNLJOEOLPYGGNE-XMMPIXPASA-N 1 3 424.589 3.783 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000236948286 970192952 /nfs/dbraw/zinc/19/29/52/970192952.db2.gz XDQCPUSVAREJMG-KRWDZBQOSA-N 1 3 404.002 3.506 20 0 HHADHO CCN(CC)c1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236968363 970196965 /nfs/dbraw/zinc/19/69/65/970196965.db2.gz GOWOTSZXGUXPEP-QHCPKHFHSA-N 1 3 408.590 3.520 20 0 HHADHO CCN(CC)c1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236968363 970196970 /nfs/dbraw/zinc/19/69/70/970196970.db2.gz GOWOTSZXGUXPEP-QHCPKHFHSA-N 1 3 408.590 3.520 20 0 HHADHO COc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1OCc1ccccc1 ZINC000237352098 970268388 /nfs/dbraw/zinc/26/83/88/970268388.db2.gz UFPMLIZYDBOVGB-UHFFFAOYSA-N 1 3 423.601 3.922 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000237610305 970321880 /nfs/dbraw/zinc/32/18/80/970321880.db2.gz GYAQZGFDVRFXHH-OALUTQOASA-N 1 3 417.594 3.963 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000237774243 970363949 /nfs/dbraw/zinc/36/39/49/970363949.db2.gz CSZVAXBXWNMRIK-OYRHEFFESA-N 1 3 419.573 3.913 20 0 HHADHO Cc1cccc(N2CC[NH+](CCCCNCc3c(Cl)nc4ccccn43)CC2)c1 ZINC000237855702 970382515 /nfs/dbraw/zinc/38/25/15/970382515.db2.gz DHQQFSFSLNPPFV-UHFFFAOYSA-N 1 3 411.981 3.988 20 0 HHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3c(Cl)nc4ccccn43)CC2)c1 ZINC000237855702 970382533 /nfs/dbraw/zinc/38/25/33/970382533.db2.gz DHQQFSFSLNPPFV-UHFFFAOYSA-N 1 3 411.981 3.988 20 0 HHADHO CCN(C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000247964612 970494132 /nfs/dbraw/zinc/49/41/32/970494132.db2.gz GBWSOIHPADMFII-REHUZNOOSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@H+](C)[C@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000247964612 970494137 /nfs/dbraw/zinc/49/41/37/970494137.db2.gz GBWSOIHPADMFII-REHUZNOOSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@@H+](C)[C@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1 ZINC000247964612 970494143 /nfs/dbraw/zinc/49/41/43/970494143.db2.gz GBWSOIHPADMFII-REHUZNOOSA-N 1 3 409.574 3.605 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000195601444 970543880 /nfs/dbraw/zinc/54/38/80/970543880.db2.gz IFEIIPRNUXMIQW-HSZRJFAPSA-N 1 3 416.610 3.786 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000195601444 970543891 /nfs/dbraw/zinc/54/38/91/970543891.db2.gz IFEIIPRNUXMIQW-HSZRJFAPSA-N 1 3 416.610 3.786 20 0 HHADHO Cc1ccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000397502737 972872044 /nfs/dbraw/zinc/87/20/44/972872044.db2.gz APBJSYUJBTYYSJ-UHFFFAOYSA-N 1 3 403.364 3.874 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000426783860 974656666 /nfs/dbraw/zinc/65/66/66/974656666.db2.gz KSWNZXQMLLYEKM-RTBURBONSA-N 1 3 422.013 3.558 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426802842 974672027 /nfs/dbraw/zinc/67/20/27/974672027.db2.gz YDJSHRGFCKJGST-ROUUACIJSA-N 1 3 407.986 3.880 20 0 HHADHO CCN1CCN(c2ccc(C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)cc2)CC1 ZINC000427595578 975205888 /nfs/dbraw/zinc/20/58/88/975205888.db2.gz DRWDLJFWYCEIEM-UHFFFAOYSA-N 1 3 406.574 3.985 20 0 HHADHO Cc1cc2c(cc1C)[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)CCS2 ZINC000427881334 975331909 /nfs/dbraw/zinc/33/19/09/975331909.db2.gz IDHHNLWNNNFVTC-YADHBBJMSA-N 1 3 411.615 3.719 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283285 975596847 /nfs/dbraw/zinc/59/68/47/975596847.db2.gz STSFIJPWELSIQK-BWKNWUBXSA-N 1 3 420.601 3.787 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283285 975596852 /nfs/dbraw/zinc/59/68/52/975596852.db2.gz STSFIJPWELSIQK-BWKNWUBXSA-N 1 3 420.601 3.787 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079314 976364097 /nfs/dbraw/zinc/36/40/97/976364097.db2.gz AGZYRCAIKPQHBB-XUZZJYLKSA-N 1 3 405.586 3.925 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324659 976591143 /nfs/dbraw/zinc/59/11/43/976591143.db2.gz FMELZJBVSJTEPV-RUZDIDTESA-N 1 3 423.601 3.938 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324659 976591158 /nfs/dbraw/zinc/59/11/58/976591158.db2.gz FMELZJBVSJTEPV-RUZDIDTESA-N 1 3 423.601 3.938 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494173 976751783 /nfs/dbraw/zinc/75/17/83/976751783.db2.gz RAIZHAVNBXKPQW-BVYCBKJFSA-N 1 3 400.611 3.584 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494173 976751789 /nfs/dbraw/zinc/75/17/89/976751789.db2.gz RAIZHAVNBXKPQW-BVYCBKJFSA-N 1 3 400.611 3.584 20 0 HHADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429498014 976755523 /nfs/dbraw/zinc/75/55/23/976755523.db2.gz ZCZIAAIBQLQDRO-QFIPXVFZSA-N 1 3 400.611 3.631 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824595 977780368 /nfs/dbraw/zinc/78/03/68/977780368.db2.gz XFBDQFKSFJTGED-OIBXWCBGSA-N 1 3 400.538 3.688 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824595 977780378 /nfs/dbraw/zinc/78/03/78/977780378.db2.gz XFBDQFKSFJTGED-OIBXWCBGSA-N 1 3 400.538 3.688 20 0 HHADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000431330862 978216027 /nfs/dbraw/zinc/21/60/27/978216027.db2.gz DIYKCWRTAVVKJL-HXUWFJFHSA-N 1 3 400.954 3.799 20 0 HHADHO Cc1ccccc1[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000431646651 978405982 /nfs/dbraw/zinc/40/59/82/978405982.db2.gz XZXSNWOQUBMMLV-JOCHJYFZSA-N 1 3 400.611 3.940 20 0 HHADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431914595 978597932 /nfs/dbraw/zinc/59/79/32/978597932.db2.gz SZBCSCOWTKTEJO-QHCPKHFHSA-N 1 3 410.606 3.701 20 0 HHADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Br)cc1 ZINC000431927069 978606138 /nfs/dbraw/zinc/60/61/38/978606138.db2.gz RJBYEYNZMROCPC-MRXNPFEDSA-N 1 3 422.411 3.618 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000432835931 978987810 /nfs/dbraw/zinc/98/78/10/978987810.db2.gz KFXTUMYQCFGJES-BWKNWUBXSA-N 1 3 405.586 3.954 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000432955230 979023084 /nfs/dbraw/zinc/02/30/84/979023084.db2.gz LWYBOKDXNNGUIX-WOJBJXKFSA-N 1 3 411.384 3.671 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000432955230 979023089 /nfs/dbraw/zinc/02/30/89/979023089.db2.gz LWYBOKDXNNGUIX-WOJBJXKFSA-N 1 3 411.384 3.671 20 0 HHADHO COc1cccc(CNC(=O)[C@@H](C)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433115940 979080393 /nfs/dbraw/zinc/08/03/93/979080393.db2.gz QGSABTFNHFSZTN-OAQYLSRUSA-N 1 3 421.585 3.688 20 0 HHADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167699 979111959 /nfs/dbraw/zinc/11/19/59/979111959.db2.gz OLEHFGQPMULLRC-JOCHJYFZSA-N 1 3 417.597 3.948 20 0 HHADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167700 979112049 /nfs/dbraw/zinc/11/20/49/979112049.db2.gz OLEHFGQPMULLRC-QFIPXVFZSA-N 1 3 417.597 3.948 20 0 HHADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172000 979116328 /nfs/dbraw/zinc/11/63/28/979116328.db2.gz CVBDTCNPWITEDC-NRFANRHFSA-N 1 3 423.576 3.861 20 0 HHADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000436277003 981280873 /nfs/dbraw/zinc/28/08/73/981280873.db2.gz VPTSOKCUKYADKZ-UHFFFAOYSA-N 1 3 409.574 3.838 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218262 981633032 /nfs/dbraw/zinc/63/30/32/981633032.db2.gz UFWQRWWQCNXZIV-JRGCBEDISA-N 1 3 404.624 3.789 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218262 981633038 /nfs/dbraw/zinc/63/30/38/981633038.db2.gz UFWQRWWQCNXZIV-JRGCBEDISA-N 1 3 404.624 3.789 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469707 981809396 /nfs/dbraw/zinc/80/93/96/981809396.db2.gz AZOGSFQUXOJYAV-GMAHTHKFSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469707 981809404 /nfs/dbraw/zinc/80/94/04/981809404.db2.gz AZOGSFQUXOJYAV-GMAHTHKFSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000460363379 982138442 /nfs/dbraw/zinc/13/84/42/982138442.db2.gz IGMKJBFYFZCXGM-NHCUHLMSSA-N 1 3 405.586 3.924 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)CC1 ZINC000437633816 982254296 /nfs/dbraw/zinc/25/42/96/982254296.db2.gz YSCOYDYDXWDTGN-BJKOFHAPSA-N 1 3 406.574 3.554 20 0 HHADHO CC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000438068028 982567777 /nfs/dbraw/zinc/56/77/77/982567777.db2.gz XHQCVULKKZSKHN-FQEVSTJZSA-N 1 3 411.512 3.874 20 0 HHADHO Cc1ccc2cc(CNCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186260 982640207 /nfs/dbraw/zinc/64/02/07/982640207.db2.gz GLFPWTKPXWEISO-QHCPKHFHSA-N 1 3 402.542 3.530 20 0 HHADHO Cc1ccc2cc(CNCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186260 982640215 /nfs/dbraw/zinc/64/02/15/982640215.db2.gz GLFPWTKPXWEISO-QHCPKHFHSA-N 1 3 402.542 3.530 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006857 982720612 /nfs/dbraw/zinc/72/06/12/982720612.db2.gz JLMWMKHTMKGQFW-KZKAQZJJSA-N 1 3 424.589 3.872 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006857 982720613 /nfs/dbraw/zinc/72/06/13/982720613.db2.gz JLMWMKHTMKGQFW-KZKAQZJJSA-N 1 3 424.589 3.872 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977047 983189981 /nfs/dbraw/zinc/18/99/81/983189981.db2.gz SENSRXLBPBHSOY-HYBUGGRVSA-N 1 3 421.589 3.743 20 0 HHADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000439181719 983295779 /nfs/dbraw/zinc/29/57/79/983295779.db2.gz PODLXEWHZKBQHA-UHFFFAOYSA-N 1 3 400.592 3.617 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000439203970 983309096 /nfs/dbraw/zinc/30/90/96/983309096.db2.gz ZBFSDLBJOOEAFN-FQEVSTJZSA-N 1 3 421.589 3.702 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230502 983320601 /nfs/dbraw/zinc/32/06/01/983320601.db2.gz SAOLMVHWKIZKHE-QUCCMNQESA-N 1 3 400.592 3.657 20 0 HHADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000439254767 983333983 /nfs/dbraw/zinc/33/39/83/983333983.db2.gz DQMZWMGGJPGEKU-UHFFFAOYSA-N 1 3 400.592 3.617 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765065 983529648 /nfs/dbraw/zinc/52/96/48/983529648.db2.gz DRKCYOLPWHJVDG-NZQKXSOJSA-N 1 3 406.574 3.635 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765065 983529650 /nfs/dbraw/zinc/52/96/50/983529650.db2.gz DRKCYOLPWHJVDG-NZQKXSOJSA-N 1 3 406.574 3.635 20 0 HHADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)ccc1OC ZINC000439844535 983555718 /nfs/dbraw/zinc/55/57/18/983555718.db2.gz VMBOXMNVPSIVJV-FQEVSTJZSA-N 1 3 403.567 3.761 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)c(Cl)cc3F)CC2)CC1 ZINC000439953680 983592845 /nfs/dbraw/zinc/59/28/45/983592845.db2.gz JHBZYQMDWWGKOV-UHFFFAOYSA-N 1 3 403.329 3.813 20 0 HHADHO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441388362 984225245 /nfs/dbraw/zinc/22/52/45/984225245.db2.gz XHPPBXNSWZYYNT-UHFFFAOYSA-N 1 3 417.601 3.963 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000461729206 984743713 /nfs/dbraw/zinc/74/37/13/984743713.db2.gz PTIINSZSTHFMNZ-GGAORHGYSA-N 1 3 400.611 3.660 20 0 HHADHO CC1CC[NH+](CCC[C@H](NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801256 985733880 /nfs/dbraw/zinc/73/38/80/985733880.db2.gz BLSAKQRDHYMQOE-VJBWXMMDSA-N 1 3 419.585 3.604 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463008320 985961519 /nfs/dbraw/zinc/96/15/19/985961519.db2.gz GRMSLWYFZDXLKE-YKSBVNFPSA-N 1 3 408.590 3.800 20 0 HHADHO Cc1ccc([C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000463073118 986030590 /nfs/dbraw/zinc/03/05/90/986030590.db2.gz GWTLQCYCIZNGGX-AREMUKBSSA-N 1 3 407.602 3.665 20 0 HHADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463077059 986034831 /nfs/dbraw/zinc/03/48/31/986034831.db2.gz MFDPAVITWIWUHI-RCZVLFRGSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077059 986034850 /nfs/dbraw/zinc/03/48/50/986034850.db2.gz MFDPAVITWIWUHI-RCZVLFRGSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077059 986034863 /nfs/dbraw/zinc/03/48/63/986034863.db2.gz MFDPAVITWIWUHI-RCZVLFRGSA-N 1 3 423.601 3.540 20 0 HHADHO O=C1[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000463286344 986253287 /nfs/dbraw/zinc/25/32/87/986253287.db2.gz LHKQUUSMGLUWDP-JOCHJYFZSA-N 1 3 415.940 3.881 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468909309 986616252 /nfs/dbraw/zinc/61/62/52/986616252.db2.gz KCPVKCIGWHDUKQ-SLFFLAALSA-N 1 3 413.587 3.753 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468909309 986616255 /nfs/dbraw/zinc/61/62/55/986616255.db2.gz KCPVKCIGWHDUKQ-SLFFLAALSA-N 1 3 413.587 3.753 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909531 986616434 /nfs/dbraw/zinc/61/64/34/986616434.db2.gz KCPVKCIGWHDUKQ-XUVXKRRUSA-N 1 3 413.587 3.753 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909531 986616439 /nfs/dbraw/zinc/61/64/39/986616439.db2.gz KCPVKCIGWHDUKQ-XUVXKRRUSA-N 1 3 413.587 3.753 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(C)(C)C(F)(F)F)cc3)CC2)CC1 ZINC000469126608 986846105 /nfs/dbraw/zinc/84/61/05/986846105.db2.gz ZSWIKTJOXMNLRF-UHFFFAOYSA-N 1 3 411.512 3.815 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469334363 987042528 /nfs/dbraw/zinc/04/25/28/987042528.db2.gz NBFICJXERJBXAC-XMMPIXPASA-N 1 3 415.541 3.769 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469334363 987042542 /nfs/dbraw/zinc/04/25/42/987042542.db2.gz NBFICJXERJBXAC-XMMPIXPASA-N 1 3 415.541 3.769 20 0 HHADHO Cc1ccc(CN(C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)C2CC2)o1 ZINC000469764079 987416328 /nfs/dbraw/zinc/41/63/28/987416328.db2.gz NGBRUXDMAXTJRN-RTBURBONSA-N 1 3 409.574 3.825 20 0 HHADHO CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470750308 988791257 /nfs/dbraw/zinc/79/12/57/988791257.db2.gz VZUQQVHUSCJYMJ-DEOSSOPVSA-N 1 3 408.590 3.815 20 0 HHADHO CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470750308 988791266 /nfs/dbraw/zinc/79/12/66/988791266.db2.gz VZUQQVHUSCJYMJ-DEOSSOPVSA-N 1 3 408.590 3.815 20 0 HHADHO CCS[C@H]1CC[C@H](N(C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770203 988993615 /nfs/dbraw/zinc/99/36/15/988993615.db2.gz FQXIFGZWVGPEQK-VXKWHMMOSA-N 1 3 403.636 3.682 20 0 HHADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)cc1 ZINC000471001704 989068241 /nfs/dbraw/zinc/06/82/41/989068241.db2.gz RLRCDGSVOYYRMF-AUSIDOKSSA-N 1 3 424.589 3.583 20 0 HHADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431593 989776733 /nfs/dbraw/zinc/77/67/33/989776733.db2.gz KINOKFUKQUYFHD-ZJSXRUAMSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431593 989776744 /nfs/dbraw/zinc/77/67/44/989776744.db2.gz KINOKFUKQUYFHD-ZJSXRUAMSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734041 989930189 /nfs/dbraw/zinc/93/01/89/989930189.db2.gz FHJUIFCJOMJUPC-FAEJEUNOSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734041 989930195 /nfs/dbraw/zinc/93/01/95/989930195.db2.gz FHJUIFCJOMJUPC-FAEJEUNOSA-N 1 3 418.548 3.601 20 0 HHADHO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465809092 990191341 /nfs/dbraw/zinc/19/13/41/990191341.db2.gz KEDOCUGQHYABJB-AVRDEDQJSA-N 1 3 416.610 3.883 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000466228576 991450785 /nfs/dbraw/zinc/45/07/85/991450785.db2.gz WFAJGKJZHKDHBG-HYBUGGRVSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000466228578 991451026 /nfs/dbraw/zinc/45/10/26/991451026.db2.gz WFAJGKJZHKDHBG-YKSBVNFPSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248277 991484085 /nfs/dbraw/zinc/48/40/85/991484085.db2.gz KTEOOYDVXWWQKA-SDUSCBPUSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248277 991484089 /nfs/dbraw/zinc/48/40/89/991484089.db2.gz KTEOOYDVXWWQKA-SDUSCBPUSA-N 1 3 420.601 3.513 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000466462290 991753222 /nfs/dbraw/zinc/75/32/22/991753222.db2.gz BRMPMXRBUCCPBS-UHFFFAOYSA-N 1 3 411.512 3.971 20 0 HHADHO CCc1c(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000466710073 992022154 /nfs/dbraw/zinc/02/21/54/992022154.db2.gz JLFUDPPZIZFCKP-UHFFFAOYSA-N 1 3 424.593 3.507 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000466728362 992039223 /nfs/dbraw/zinc/03/92/23/992039223.db2.gz IINMJJVFZAUDBX-IRXDYDNUSA-N 1 3 416.484 3.785 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467096140 992401827 /nfs/dbraw/zinc/40/18/27/992401827.db2.gz XJVHMWYDBDQZAF-NRFANRHFSA-N 1 3 408.590 3.597 20 0 HHADHO CN1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Br)c2ccc(F)cc2)CC1 ZINC000467739642 992988832 /nfs/dbraw/zinc/98/88/32/992988832.db2.gz HEDKVQLARAMFJZ-FQEVSTJZSA-N 1 3 421.354 3.918 20 0 HHADHO CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000472387006 993382460 /nfs/dbraw/zinc/38/24/60/993382460.db2.gz XKWFYEAFDDNVSO-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000472387006 993382467 /nfs/dbraw/zinc/38/24/67/993382467.db2.gz XKWFYEAFDDNVSO-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480757489 993622745 /nfs/dbraw/zinc/62/27/45/993622745.db2.gz LINGNODMOOCBNZ-LJQANCHMSA-N 1 3 402.583 3.944 20 0 HHADHO Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000480759846 993624837 /nfs/dbraw/zinc/62/48/37/993624837.db2.gz PSSWREHEYICWLZ-CXAGYDPISA-N 1 3 412.315 3.579 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000480908922 993765290 /nfs/dbraw/zinc/76/52/90/993765290.db2.gz LBOAOPMONVJXQX-WMZHIEFXSA-N 1 3 410.562 3.561 20 0 HHADHO C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000481553250 994386729 /nfs/dbraw/zinc/38/67/29/994386729.db2.gz RTMJUWXZORBDCP-CQSZACIVSA-N 1 3 421.335 3.969 20 0 HHADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570404 995575704 /nfs/dbraw/zinc/57/57/04/995575704.db2.gz WJHQWFXYMZBZQZ-MAUKXSAKSA-N 1 3 416.566 3.504 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475145261 995953081 /nfs/dbraw/zinc/95/30/81/995953081.db2.gz KMPYXRYGGZWBIX-XPNTWCBSSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475156959 995959031 /nfs/dbraw/zinc/95/90/31/995959031.db2.gz PEDAYGMSBANZQM-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO CCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475156959 995959036 /nfs/dbraw/zinc/95/90/36/995959036.db2.gz PEDAYGMSBANZQM-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO Brc1cnn(CCCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000475214677 996001690 /nfs/dbraw/zinc/00/16/90/996001690.db2.gz QQELQMIWDSYGQA-SESVDKBCSA-N 1 3 417.395 3.926 20 0 HHADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000483328644 996101014 /nfs/dbraw/zinc/10/10/14/996101014.db2.gz BNWIYXWYBYOPBS-UHFFFAOYSA-N 1 3 402.583 3.889 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483484264 996210937 /nfs/dbraw/zinc/21/09/37/996210937.db2.gz IZQHNRFOFAAMBS-UMXIMWEHSA-N 1 3 412.549 3.690 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483484264 996210941 /nfs/dbraw/zinc/21/09/41/996210941.db2.gz IZQHNRFOFAAMBS-UMXIMWEHSA-N 1 3 412.549 3.690 20 0 HHADHO Cc1ncc([C@@H](C)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000483722469 996349279 /nfs/dbraw/zinc/34/92/79/996349279.db2.gz DJBRNPWGFJWKKR-CQSZACIVSA-N 1 3 407.484 3.715 20 0 HHADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483997921 996513601 /nfs/dbraw/zinc/51/36/01/996513601.db2.gz BVWDDORJJOEJKX-UHFFFAOYSA-N 1 3 400.611 3.599 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488268 996809929 /nfs/dbraw/zinc/80/99/29/996809929.db2.gz UVZDEAJGKWNMBO-AOIWGVFYSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488268 996809944 /nfs/dbraw/zinc/80/99/44/996809944.db2.gz UVZDEAJGKWNMBO-AOIWGVFYSA-N 1 3 413.400 3.943 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624012 997143852 /nfs/dbraw/zinc/14/38/52/997143852.db2.gz HZCOJVPRTFKCRQ-HYBUGGRVSA-N 1 3 424.589 3.652 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624012 997143874 /nfs/dbraw/zinc/14/38/74/997143874.db2.gz HZCOJVPRTFKCRQ-HYBUGGRVSA-N 1 3 424.589 3.652 20 0 HHADHO CN(C)C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000476874882 997452627 /nfs/dbraw/zinc/45/26/27/997452627.db2.gz SVLOBYOHKXDHRO-HSZRJFAPSA-N 1 3 412.553 3.914 20 0 HHADHO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccccc3CN(C)C)cc2)C[C@@H]1C ZINC000486823117 998956975 /nfs/dbraw/zinc/95/69/75/998956975.db2.gz KRWUMNBIVAJNOM-SFTDATJTSA-N 1 3 423.601 3.687 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(Cc4ccccc4)CCCC3)CC2)CC1 ZINC000486964956 999020382 /nfs/dbraw/zinc/02/03/82/999020382.db2.gz LKFAPGXKMLQHJC-UHFFFAOYSA-N 1 3 412.622 3.647 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024703 999039958 /nfs/dbraw/zinc/03/99/58/999039958.db2.gz ADNAMLYLFKREKD-HUVFLSCGSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024703 999039961 /nfs/dbraw/zinc/03/99/61/999039961.db2.gz ADNAMLYLFKREKD-HUVFLSCGSA-N 1 3 408.590 3.808 20 0 HHADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830373 999164233 /nfs/dbraw/zinc/16/42/33/999164233.db2.gz KHKKYOGSWAONNX-DENIHFKCSA-N 1 3 412.578 3.715 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000479063685 999275833 /nfs/dbraw/zinc/27/58/33/999275833.db2.gz PVNBFMFQHBYCHH-MOPGFXCFSA-N 1 3 403.592 3.512 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000479063692 999276063 /nfs/dbraw/zinc/27/60/63/999276063.db2.gz PVNBFMFQHBYCHH-RTBURBONSA-N 1 3 403.592 3.512 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075197 999710398 /nfs/dbraw/zinc/71/03/98/999710398.db2.gz ZQXPIMOTGGFBKN-NYMACZPPSA-N 1 3 423.601 3.569 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075197 999710401 /nfs/dbraw/zinc/71/04/01/999710401.db2.gz ZQXPIMOTGGFBKN-NYMACZPPSA-N 1 3 423.601 3.569 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602977 999838261 /nfs/dbraw/zinc/83/82/61/999838261.db2.gz QVTVGOFFACSMMH-RTBURBONSA-N 1 3 415.603 3.820 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602977 999838263 /nfs/dbraw/zinc/83/82/63/999838263.db2.gz QVTVGOFFACSMMH-RTBURBONSA-N 1 3 415.603 3.820 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489869744 999851874 /nfs/dbraw/zinc/85/18/74/999851874.db2.gz AJQALHSQONUHQR-SFTDATJTSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490654856 999989307 /nfs/dbraw/zinc/98/93/07/999989307.db2.gz ZALHIRQLZDCHQD-RCZVLFRGSA-N 1 3 407.602 3.750 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000491082483 1000043574 /nfs/dbraw/zinc/04/35/74/1000043574.db2.gz WOTBZWQZZMTLDF-AUSIDOKSSA-N 1 3 416.610 3.592 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000491082483 1000043576 /nfs/dbraw/zinc/04/35/76/1000043576.db2.gz WOTBZWQZZMTLDF-AUSIDOKSSA-N 1 3 416.610 3.592 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4cccc(F)c4)CCCCC3)CC2)CC1 ZINC000493343707 1000169719 /nfs/dbraw/zinc/16/97/19/1000169719.db2.gz HYZSUNZKTXTZNO-UHFFFAOYSA-N 1 3 415.597 3.994 20 0 HHADHO C[NH+](C)CCOc1cccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000504737745 1000348453 /nfs/dbraw/zinc/34/84/53/1000348453.db2.gz OWTWNQGUQLUSKC-UHFFFAOYSA-N 1 3 410.562 3.585 20 0 HHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000505415041 1000757352 /nfs/dbraw/zinc/75/73/52/1000757352.db2.gz MSRDOXBAUOCFLL-OAQYLSRUSA-N 1 3 401.501 3.522 20 0 HHADHO C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000496249189 1001147040 /nfs/dbraw/zinc/14/70/40/1001147040.db2.gz YUVUGWHYYRTWFI-HYBUGGRVSA-N 1 3 424.589 3.652 20 0 HHADHO Cc1cc(C)c(NC(=O)CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC000497509715 1001410679 /nfs/dbraw/zinc/41/06/79/1001410679.db2.gz PSIQNZXIGUFEMF-AIZNXBIQSA-N 1 3 412.622 3.573 20 0 HHADHO Cc1cc(C)c(NC(=O)CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC000497509715 1001410682 /nfs/dbraw/zinc/41/06/82/1001410682.db2.gz PSIQNZXIGUFEMF-AIZNXBIQSA-N 1 3 412.622 3.573 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccco1 ZINC000498031330 1001614009 /nfs/dbraw/zinc/61/40/09/1001614009.db2.gz VFXJYNMFKMHWMY-WIYYLYMNSA-N 1 3 418.607 3.888 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccco1 ZINC000498031330 1001614010 /nfs/dbraw/zinc/61/40/10/1001614010.db2.gz VFXJYNMFKMHWMY-WIYYLYMNSA-N 1 3 418.607 3.888 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498128999 1001653901 /nfs/dbraw/zinc/65/39/01/1001653901.db2.gz XWSNDZCNSOGXDG-HSALFYBXSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498128999 1001653905 /nfs/dbraw/zinc/65/39/05/1001653905.db2.gz XWSNDZCNSOGXDG-HSALFYBXSA-N 1 3 404.624 3.647 20 0 HHADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952211 1001725234 /nfs/dbraw/zinc/72/52/34/1001725234.db2.gz NUKVCIOAFQTVDI-FCHUYYIVSA-N 1 3 412.622 3.731 20 0 HHADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952211 1001725241 /nfs/dbraw/zinc/72/52/41/1001725241.db2.gz NUKVCIOAFQTVDI-FCHUYYIVSA-N 1 3 412.622 3.731 20 0 HHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000498460184 1001887784 /nfs/dbraw/zinc/88/77/84/1001887784.db2.gz AWHHCWNZROEJNY-HXUWFJFHSA-N 1 3 413.537 3.754 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CN1Cc1ccccc1 ZINC000507457378 1002081907 /nfs/dbraw/zinc/08/19/07/1002081907.db2.gz BHIYBSLPXXPGNY-ZKGSSEMHSA-N 1 3 403.570 3.535 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)N1Cc2ccccc2C1 ZINC000507522680 1002131703 /nfs/dbraw/zinc/13/17/03/1002131703.db2.gz BNCIZNLPVSJOMA-DSNGMDLFSA-N 1 3 403.570 3.809 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898945 1002289531 /nfs/dbraw/zinc/28/95/31/1002289531.db2.gz UCTVBKURGSOSKR-SXSPYAJSSA-N 1 3 412.553 3.781 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898945 1002289533 /nfs/dbraw/zinc/28/95/33/1002289533.db2.gz UCTVBKURGSOSKR-SXSPYAJSSA-N 1 3 412.553 3.781 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102065 1002493006 /nfs/dbraw/zinc/49/30/06/1002493006.db2.gz QDSWICGKVVXSLQ-IGKWTDBASA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102065 1002493009 /nfs/dbraw/zinc/49/30/09/1002493009.db2.gz QDSWICGKVVXSLQ-IGKWTDBASA-N 1 3 424.589 3.508 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000499112098 1002502138 /nfs/dbraw/zinc/50/21/38/1002502138.db2.gz NWOSUVKYAZXSPZ-MYSJAJEPSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000499112098 1002502151 /nfs/dbraw/zinc/50/21/51/1002502151.db2.gz NWOSUVKYAZXSPZ-MYSJAJEPSA-N 1 3 408.590 3.888 20 0 HHADHO c1csc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141847 1002526286 /nfs/dbraw/zinc/52/62/86/1002526286.db2.gz NLWZFCUGVHOHCD-GPJHCHHRSA-N 1 3 411.615 3.907 20 0 HHADHO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2=O)cc1 ZINC000499216798 1002601381 /nfs/dbraw/zinc/60/13/81/1002601381.db2.gz TVYRKDSNIKWQRW-STAYPELNSA-N 1 3 419.569 3.581 20 0 HHADHO CC(C)CN(Cc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000508562311 1003031267 /nfs/dbraw/zinc/03/12/67/1003031267.db2.gz VJAGPUUHFLMARA-UHFFFAOYSA-N 1 3 404.574 3.552 20 0 HHADHO COc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713094 1003151922 /nfs/dbraw/zinc/15/19/22/1003151922.db2.gz SBTIGRKPYOMOBD-PMOQBDJRSA-N 1 3 411.590 3.807 20 0 HHADHO COc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713094 1003151933 /nfs/dbraw/zinc/15/19/33/1003151933.db2.gz SBTIGRKPYOMOBD-PMOQBDJRSA-N 1 3 411.590 3.807 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874914 1003295084 /nfs/dbraw/zinc/29/50/84/1003295084.db2.gz VMXODEHPRJDQAM-LEOXJPRUSA-N 1 3 412.578 3.597 20 0 HHADHO C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508880791 1003301816 /nfs/dbraw/zinc/30/18/16/1003301816.db2.gz MKQQQVAGRDDEKL-NZQKXSOJSA-N 1 3 400.611 3.975 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000500137347 1003497184 /nfs/dbraw/zinc/49/71/84/1003497184.db2.gz IWIWALIBNYUPLS-UHFFFAOYSA-N 1 3 412.578 3.927 20 0 HHADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231496 1003641464 /nfs/dbraw/zinc/64/14/64/1003641464.db2.gz HALBOAWOVGVYMS-LVCYWYKZSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231496 1003641458 /nfs/dbraw/zinc/64/14/58/1003641458.db2.gz HALBOAWOVGVYMS-LVCYWYKZSA-N 1 3 411.512 3.678 20 0 HHADHO O=C(N1CCC([NH+]2CCCCC2)CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509338230 1003715379 /nfs/dbraw/zinc/71/53/79/1003715379.db2.gz PRXRBSNXWWJMCR-QFIPXVFZSA-N 1 3 423.523 3.918 20 0 HHADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)N1CCCCC1 ZINC000500444588 1003722224 /nfs/dbraw/zinc/72/22/24/1003722224.db2.gz VAQQVDWLIIXLBX-IRLDBZIGSA-N 1 3 401.595 3.513 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594399 1003968228 /nfs/dbraw/zinc/96/82/28/1003968228.db2.gz FDGJDCUMBYRMJH-ILWGZMRPSA-N 1 3 412.578 3.872 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594399 1003968233 /nfs/dbraw/zinc/96/82/33/1003968233.db2.gz FDGJDCUMBYRMJH-ILWGZMRPSA-N 1 3 412.578 3.872 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000500808492 1003970209 /nfs/dbraw/zinc/97/02/09/1003970209.db2.gz RLWDXDSPLCPQKA-XMMPIXPASA-N 1 3 421.589 3.777 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(C)(C)COCc2ccccc2)CC1 ZINC000500957055 1004077199 /nfs/dbraw/zinc/07/71/99/1004077199.db2.gz XJOKYVWMZMLQHS-UHFFFAOYSA-N 1 3 423.601 3.661 20 0 HHADHO CC(C)N1CCN(CCC[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000500989049 1004098012 /nfs/dbraw/zinc/09/80/12/1004098012.db2.gz KKFCBGRSMLURFD-UHFFFAOYSA-N 1 3 424.992 3.546 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000501041104 1004142702 /nfs/dbraw/zinc/14/27/02/1004142702.db2.gz VQYJYQBROYXYRC-DEOSSOPVSA-N 1 3 406.574 3.984 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCCC[C@H]12 ZINC000501056033 1004158565 /nfs/dbraw/zinc/15/85/65/1004158565.db2.gz DKGAHEYMPLLLKL-QJUOVVKFSA-N 1 3 420.686 3.586 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCCC[C@H]12 ZINC000501056033 1004158572 /nfs/dbraw/zinc/15/85/72/1004158572.db2.gz DKGAHEYMPLLLKL-QJUOVVKFSA-N 1 3 420.686 3.586 20 0 HHADHO C[C@@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000501067440 1004169395 /nfs/dbraw/zinc/16/93/95/1004169395.db2.gz IWYTYNKDRNARIQ-QGZVFWFLSA-N 1 3 400.954 3.761 20 0 HHADHO COc1ccc([C@@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000501068083 1004170472 /nfs/dbraw/zinc/17/04/72/1004170472.db2.gz KOQDXIZNRCWIED-VWLOTQADSA-N 1 3 424.589 3.752 20 0 HHADHO CC(C)[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000501130012 1004223420 /nfs/dbraw/zinc/22/34/20/1004223420.db2.gz BSXYXWPOCUFJQC-HSZRJFAPSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@H]1C[C@@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425059 1004291378 /nfs/dbraw/zinc/29/13/78/1004291378.db2.gz WXXHBCGDFXEGHF-RBBKRZOGSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H]1C[C@@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425059 1004291389 /nfs/dbraw/zinc/29/13/89/1004291389.db2.gz WXXHBCGDFXEGHF-RBBKRZOGSA-N 1 3 400.611 3.803 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCOc3ccccc3-c3ccccc3)CC2)CC1 ZINC000501256004 1004318026 /nfs/dbraw/zinc/31/80/26/1004318026.db2.gz GDZIPIPLDVCZJK-UHFFFAOYSA-N 1 3 421.585 3.797 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143278 1004353899 /nfs/dbraw/zinc/35/38/99/1004353899.db2.gz LQWRWVADUFCGEG-WOJBJXKFSA-N 1 3 411.384 3.671 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143278 1004353904 /nfs/dbraw/zinc/35/39/04/1004353904.db2.gz LQWRWVADUFCGEG-WOJBJXKFSA-N 1 3 411.384 3.671 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000512616823 1004429713 /nfs/dbraw/zinc/42/97/13/1004429713.db2.gz CTTFNOWIHKLAHM-VEYUFSJPSA-N 1 3 417.597 3.925 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501492951 1004464182 /nfs/dbraw/zinc/46/41/82/1004464182.db2.gz XTNZHITZKXITJE-VWNXMTODSA-N 1 3 406.574 3.723 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653965 1004466318 /nfs/dbraw/zinc/46/63/18/1004466318.db2.gz IGSFBTJYMCQLSB-GMKZXUHWSA-N 1 3 408.542 3.629 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653965 1004466325 /nfs/dbraw/zinc/46/63/25/1004466325.db2.gz IGSFBTJYMCQLSB-GMKZXUHWSA-N 1 3 408.542 3.629 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698707 1004502947 /nfs/dbraw/zinc/50/29/47/1004502947.db2.gz KWOSZMDBVRDTNK-FUPPJEDESA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698707 1004502950 /nfs/dbraw/zinc/50/29/50/1004502950.db2.gz KWOSZMDBVRDTNK-FUPPJEDESA-N 1 3 412.622 3.945 20 0 HHADHO Cc1ccc(C(C)C)c(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000501660847 1004581078 /nfs/dbraw/zinc/58/10/78/1004581078.db2.gz XGQUAYLKSDOEKT-UHFFFAOYSA-N 1 3 401.595 3.562 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501667402 1004585800 /nfs/dbraw/zinc/58/58/00/1004585800.db2.gz VNUPIYJFAPEPMX-FCHUYYIVSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501667402 1004585810 /nfs/dbraw/zinc/58/58/10/1004585810.db2.gz VNUPIYJFAPEPMX-FCHUYYIVSA-N 1 3 409.578 3.842 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589588 /nfs/dbraw/zinc/58/95/88/1004589588.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589591 /nfs/dbraw/zinc/58/95/91/1004589591.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589595 /nfs/dbraw/zinc/58/95/95/1004589595.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831307 1004589598 /nfs/dbraw/zinc/58/95/98/1004589598.db2.gz BXSXFZAZCTUVHN-HDICACEKSA-N 1 3 404.448 3.809 20 0 HHADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000501779752 1004719200 /nfs/dbraw/zinc/71/92/00/1004719200.db2.gz YRMYGCTWJIGTLN-OAQYLSRUSA-N 1 3 412.603 3.633 20 0 HHADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000501779752 1004719212 /nfs/dbraw/zinc/71/92/12/1004719212.db2.gz YRMYGCTWJIGTLN-OAQYLSRUSA-N 1 3 412.603 3.633 20 0 HHADHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782857 1004723906 /nfs/dbraw/zinc/72/39/06/1004723906.db2.gz WVCOUOZXZZHEMJ-FGZHOGPDSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782857 1004723916 /nfs/dbraw/zinc/72/39/16/1004723916.db2.gz WVCOUOZXZZHEMJ-FGZHOGPDSA-N 1 3 409.578 3.842 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501823780 1004759181 /nfs/dbraw/zinc/75/91/81/1004759181.db2.gz GQMUHIXPHVUECL-MQSCRBSSSA-N 1 3 400.611 3.881 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000513149429 1004832374 /nfs/dbraw/zinc/83/23/74/1004832374.db2.gz KTQADLOZABRCED-UHFFFAOYSA-N 1 3 424.564 3.818 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1)C1CC1 ZINC000510789582 1004853445 /nfs/dbraw/zinc/85/34/45/1004853445.db2.gz HFLWDBFFJIEZBW-UHFFFAOYSA-N 1 3 401.620 3.762 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1)C1CC1 ZINC000510789582 1004853448 /nfs/dbraw/zinc/85/34/48/1004853448.db2.gz HFLWDBFFJIEZBW-UHFFFAOYSA-N 1 3 401.620 3.762 20 0 HHADHO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000510999730 1004973610 /nfs/dbraw/zinc/97/36/10/1004973610.db2.gz NQGVUDIIEFOPFZ-IQFVJIFQSA-N 1 3 404.558 3.793 20 0 HHADHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(I)cc2)CC1 ZINC000511019406 1004982092 /nfs/dbraw/zinc/98/20/92/1004982092.db2.gz VUQOIDOCCHCPIA-UHFFFAOYSA-N 1 3 402.320 3.523 20 0 HHADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453746 1005183233 /nfs/dbraw/zinc/18/32/33/1005183233.db2.gz KUQPZEVKKBLCDF-GUMHCPJTSA-N 1 3 407.986 3.609 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccccc3)C4)CC2)CC1 ZINC000511478462 1005193650 /nfs/dbraw/zinc/19/36/50/1005193650.db2.gz XGAQJIPPJIPUFD-LQLSTCSOSA-N 1 3 410.606 3.665 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(CCN(C)C)Cc3ccccc3)CC2)CC1 ZINC000502783930 1005216233 /nfs/dbraw/zinc/21/62/33/1005216233.db2.gz KXVWLSPLCZSNLN-UHFFFAOYSA-N 1 3 400.611 3.803 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N2CCCC2)c1 ZINC000502813016 1005227906 /nfs/dbraw/zinc/22/79/06/1005227906.db2.gz VHBABACXPPWAIE-QHCPKHFHSA-N 1 3 416.610 3.643 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846398 1005242332 /nfs/dbraw/zinc/24/23/32/1005242332.db2.gz DLLVJGFCBLTAFY-VQIMIIECSA-N 1 3 414.516 3.824 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000502863392 1005248715 /nfs/dbraw/zinc/24/87/15/1005248715.db2.gz QCAVKUNAHYDOPY-NFBKMPQASA-N 1 3 416.610 3.786 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000502863392 1005248720 /nfs/dbraw/zinc/24/87/20/1005248720.db2.gz QCAVKUNAHYDOPY-NFBKMPQASA-N 1 3 416.610 3.786 20 0 HHADHO CC(C)COc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000511647378 1005260378 /nfs/dbraw/zinc/26/03/78/1005260378.db2.gz JUCMQJFUUWZBTH-UHFFFAOYSA-N 1 3 403.611 3.637 20 0 HHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514177029 1005299589 /nfs/dbraw/zinc/29/95/89/1005299589.db2.gz ZWHMTXZXSNQEHS-SFTDATJTSA-N 1 3 412.603 3.534 20 0 HHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514177029 1005299593 /nfs/dbraw/zinc/29/95/93/1005299593.db2.gz ZWHMTXZXSNQEHS-SFTDATJTSA-N 1 3 412.603 3.534 20 0 HHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503400027 1005408402 /nfs/dbraw/zinc/40/84/02/1005408402.db2.gz MZJGTCSBUOMMJU-RPWUZVMVSA-N 1 3 412.622 3.949 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401709 1005408938 /nfs/dbraw/zinc/40/89/38/1005408938.db2.gz QWDIRBCFTQGISQ-WPFOTENUSA-N 1 3 412.622 3.975 20 0 HHADHO C[C@@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000531167331 1006026099 /nfs/dbraw/zinc/02/60/99/1006026099.db2.gz BILHGMVNMHBJPY-QFIPXVFZSA-N 1 3 407.602 3.968 20 0 HHADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000531380539 1006163343 /nfs/dbraw/zinc/16/33/43/1006163343.db2.gz HDNULBHCKUFSIX-IBGZPJMESA-N 1 3 422.525 3.882 20 0 HHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531621022 1006310875 /nfs/dbraw/zinc/31/08/75/1006310875.db2.gz XUSPRESCOHSXHB-LGVFNWMJSA-N 1 3 420.601 3.566 20 0 HHADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)CC1 ZINC000534408907 1006384608 /nfs/dbraw/zinc/38/46/08/1006384608.db2.gz FBBHZMWNRFFNTQ-IFMALSPDSA-N 1 3 423.523 3.631 20 0 HHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000532194189 1006711826 /nfs/dbraw/zinc/71/18/26/1006711826.db2.gz KQNISHQZPZMYLW-FQEVSTJZSA-N 1 3 403.574 3.779 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000532295973 1006779071 /nfs/dbraw/zinc/77/90/71/1006779071.db2.gz MHAWCEPVQALIHR-UHFFFAOYSA-N 1 3 422.617 3.986 20 0 HHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](Cc2ccccc2)C1 ZINC000532579050 1007013311 /nfs/dbraw/zinc/01/33/11/1007013311.db2.gz FWTAIZFKAKRJGQ-XUZZJYLKSA-N 1 3 405.586 3.720 20 0 HHADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628350 1007049970 /nfs/dbraw/zinc/04/99/70/1007049970.db2.gz GWHIQJLGWQBINI-XZOQPEGZSA-N 1 3 410.558 3.742 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000516578130 1007164321 /nfs/dbraw/zinc/16/43/21/1007164321.db2.gz OOIXDRCNWYHVNC-NFBKMPQASA-N 1 3 400.611 3.975 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000516578130 1007164346 /nfs/dbraw/zinc/16/43/46/1007164346.db2.gz OOIXDRCNWYHVNC-NFBKMPQASA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539072816 1007364239 /nfs/dbraw/zinc/36/42/39/1007364239.db2.gz UKPZFPOBMKUAIN-QRVBRYPASA-N 1 3 410.002 3.556 20 0 HHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000539072815 1007364486 /nfs/dbraw/zinc/36/44/86/1007364486.db2.gz UKPZFPOBMKUAIN-GUDVDZBRSA-N 1 3 410.002 3.556 20 0 HHADHO C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084689 1007373377 /nfs/dbraw/zinc/37/33/77/1007373377.db2.gz QCKFRXJBLVKWEA-IERDGZPVSA-N 1 3 401.938 3.737 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OC4CCC4)cc3Cl)CC2)CC1 ZINC000535339693 1007392155 /nfs/dbraw/zinc/39/21/55/1007392155.db2.gz INRJPDCQIAVLFC-UHFFFAOYSA-N 1 3 405.970 3.560 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535366294 1007423824 /nfs/dbraw/zinc/42/38/24/1007423824.db2.gz KBUOICXHIFAPEO-DLTYFMDKSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535366294 1007423830 /nfs/dbraw/zinc/42/38/30/1007423830.db2.gz KBUOICXHIFAPEO-DLTYFMDKSA-N 1 3 406.574 3.642 20 0 HHADHO CN1CC[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000535397312 1007463040 /nfs/dbraw/zinc/46/30/40/1007463040.db2.gz NIUALENPGGJVJT-RPBOFIJWSA-N 1 3 420.601 3.985 20 0 HHADHO CN1CC[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000535397312 1007463043 /nfs/dbraw/zinc/46/30/43/1007463043.db2.gz NIUALENPGGJVJT-RPBOFIJWSA-N 1 3 420.601 3.985 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1ccn(-c3ccccc3)n1)c1ccccc1O2 ZINC000539363466 1007666583 /nfs/dbraw/zinc/66/65/83/1007666583.db2.gz NIESQHVYVVGOIK-HSZRJFAPSA-N 1 3 402.542 3.993 20 0 HHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651685 1007969278 /nfs/dbraw/zinc/96/92/78/1007969278.db2.gz RKSCIKTVOJFUOR-CJFMBICVSA-N 1 3 408.590 3.608 20 0 HHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(-c2ccncc2)c1 ZINC000539690933 1008009535 /nfs/dbraw/zinc/00/95/35/1008009535.db2.gz YGDMEEKZDOISQC-CPJSRVTESA-N 1 3 416.569 3.688 20 0 HHADHO C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000539886768 1008162528 /nfs/dbraw/zinc/16/25/28/1008162528.db2.gz OCBQCVVSOHCIIJ-TYCQWZJGSA-N 1 3 406.412 3.784 20 0 HHADHO C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000539886768 1008162533 /nfs/dbraw/zinc/16/25/33/1008162533.db2.gz OCBQCVVSOHCIIJ-TYCQWZJGSA-N 1 3 406.412 3.784 20 0 HHADHO O=C(NCc1ccccc1)[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000540051705 1008260333 /nfs/dbraw/zinc/26/03/33/1008260333.db2.gz SZXNEKDZXQWLGP-VWLOTQADSA-N 1 3 414.553 3.945 20 0 HHADHO Cc1ccccc1[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCC(C)CC1 ZINC000543014940 1008592998 /nfs/dbraw/zinc/59/29/98/1008592998.db2.gz OWABGUGYBWDKBT-GCKKQHTFSA-N 1 3 401.639 3.842 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)N(C)C)cc1 ZINC000519295303 1008706486 /nfs/dbraw/zinc/70/64/86/1008706486.db2.gz PKOKBVWTAZTDSD-JOCHJYFZSA-N 1 3 400.542 3.510 20 0 HHADHO O=C1CCCN1Cc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000519458314 1008836588 /nfs/dbraw/zinc/83/65/88/1008836588.db2.gz BCHVVOFNDQNRLH-UHFFFAOYSA-N 1 3 409.549 3.745 20 0 HHADHO c1nc(-c2ccncc2)sc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000519606385 1008927318 /nfs/dbraw/zinc/92/73/18/1008927318.db2.gz MHLKADKQEQKTPR-UHFFFAOYSA-N 1 3 421.614 3.893 20 0 HHADHO CCc1oc(CNCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1C(=O)OC ZINC000549400614 1008985764 /nfs/dbraw/zinc/98/57/64/1008985764.db2.gz UQAILHFRFAOBLD-UHFFFAOYSA-N 1 3 400.519 3.639 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458604 1009041474 /nfs/dbraw/zinc/04/14/74/1009041474.db2.gz GYADJAKHYMLBEG-LZLYRXPVSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458604 1009041492 /nfs/dbraw/zinc/04/14/92/1009041492.db2.gz GYADJAKHYMLBEG-LZLYRXPVSA-N 1 3 400.485 3.688 20 0 HHADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453467 1009044066 /nfs/dbraw/zinc/04/40/66/1009044066.db2.gz CKSUFZBWSHCMFO-LEWJYISDSA-N 1 3 400.954 3.516 20 0 HHADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453467 1009044082 /nfs/dbraw/zinc/04/40/82/1009044082.db2.gz CKSUFZBWSHCMFO-LEWJYISDSA-N 1 3 400.954 3.516 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105655 1009704645 /nfs/dbraw/zinc/70/46/45/1009704645.db2.gz QNKREZHGSOICSJ-SRPRTCBCSA-N 1 3 421.560 3.942 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105655 1009704658 /nfs/dbraw/zinc/70/46/58/1009704658.db2.gz QNKREZHGSOICSJ-SRPRTCBCSA-N 1 3 421.560 3.942 20 0 HHADHO C[NH+](C)CCOc1ccc(CCN[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000520634374 1009711496 /nfs/dbraw/zinc/71/14/96/1009711496.db2.gz FGURXJOLNXMDDG-XMMPIXPASA-N 1 3 409.574 3.513 20 0 HHADHO CCOC(=O)C1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550881852 1010239146 /nfs/dbraw/zinc/23/91/46/1010239146.db2.gz DVAGPJDJKCQXBU-OOMBGRCJSA-N 1 3 414.590 3.627 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000547842964 1010445914 /nfs/dbraw/zinc/44/59/14/1010445914.db2.gz DKDOVUYYSSEMEN-NZQKXSOJSA-N 1 3 401.595 3.539 20 0 HHADHO c1nc([C@H]2CCCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448175 1010592143 /nfs/dbraw/zinc/59/21/43/1010592143.db2.gz LSCUJMYIMFWMTR-UPVQGACJSA-N 1 3 408.590 3.690 20 0 HHADHO c1nc([C@H]2CCCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448175 1010592146 /nfs/dbraw/zinc/59/21/46/1010592146.db2.gz LSCUJMYIMFWMTR-UPVQGACJSA-N 1 3 408.590 3.690 20 0 HHADHO C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000521797475 1010625943 /nfs/dbraw/zinc/62/59/43/1010625943.db2.gz UUTYCWNQDCIETQ-CEXWTWQISA-N 1 3 400.567 3.701 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536162104 1011291137 /nfs/dbraw/zinc/29/11/37/1011291137.db2.gz ZLMNBKFOHHRCAU-FOVJLYNBSA-N 1 3 406.574 3.957 20 0 HHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000522886794 1011332882 /nfs/dbraw/zinc/33/28/82/1011332882.db2.gz LZLDOEJOESXYPM-QHCPKHFHSA-N 1 3 400.611 3.601 20 0 HHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000522886794 1011332899 /nfs/dbraw/zinc/33/28/99/1011332899.db2.gz LZLDOEJOESXYPM-QHCPKHFHSA-N 1 3 400.611 3.601 20 0 HHADHO CCN(Cc1ccc2ccccc2c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523309015 1011786012 /nfs/dbraw/zinc/78/60/12/1011786012.db2.gz SZVVQJNXCLAIEY-UHFFFAOYSA-N 1 3 408.590 3.930 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2cccc3cc[nH]c32)CC1)Cc1ccccc1 ZINC000536678543 1011839769 /nfs/dbraw/zinc/83/97/69/1011839769.db2.gz GDYBMAIKBPBRGH-UHFFFAOYSA-N 1 3 404.558 3.628 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000541663044 1012491872 /nfs/dbraw/zinc/49/18/72/1012491872.db2.gz OBYRUHDFFVCVLV-UHFFFAOYSA-N 1 3 413.528 3.824 20 0 HHADHO CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717620 1012727899 /nfs/dbraw/zinc/72/78/99/1012727899.db2.gz VTXGOSSHVGBLEX-DEOSSOPVSA-N 1 3 423.601 3.571 20 0 HHADHO CCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717620 1012727914 /nfs/dbraw/zinc/72/79/14/1012727914.db2.gz VTXGOSSHVGBLEX-DEOSSOPVSA-N 1 3 423.601 3.571 20 0 HHADHO O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000524037631 1012787410 /nfs/dbraw/zinc/78/74/10/1012787410.db2.gz HDVRCMXRNIREMP-UHFFFAOYSA-N 1 3 413.606 3.714 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cccc(OC(F)F)c3)CC2)CC1 ZINC000552998331 1012973497 /nfs/dbraw/zinc/97/34/97/1012973497.db2.gz ANZWFFYZXAPFBW-MRXNPFEDSA-N 1 3 409.521 3.662 20 0 HHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000537487045 1012998418 /nfs/dbraw/zinc/99/84/18/1012998418.db2.gz GMYQAALFEWBQEF-JXFKEZNVSA-N 1 3 407.480 3.645 20 0 HHADHO c1[nH]c2nccnc2c1C[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000569863560 1072057953 /nfs/dbraw/zinc/05/79/53/1072057953.db2.gz DJNBNEDUVKXFRR-UHFFFAOYSA-N 1 3 412.541 3.522 20 0 HHADHO CN(Cc1ccccc1)C[C@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001168296873 1072451600 /nfs/dbraw/zinc/45/16/00/1072451600.db2.gz ZANBIRHXCZNUOU-XMMPIXPASA-N 1 3 420.601 3.782 20 0 HHADHO CC(C)CCN1[C@@]2(CCN(C3CCC([NH+](C)C)CC3)C2)c2ccccc2S1(=O)=O ZINC001168318897 1072497248 /nfs/dbraw/zinc/49/72/48/1072497248.db2.gz HVSPOIPTKKWUFK-YABDQXBESA-N 1 3 419.635 3.511 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000571328350 1072604044 /nfs/dbraw/zinc/60/40/44/1072604044.db2.gz LHSRQWAKACXPOP-YOEHRIQHSA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571328350 1072604051 /nfs/dbraw/zinc/60/40/51/1072604051.db2.gz LHSRQWAKACXPOP-YOEHRIQHSA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000571328350 1072604055 /nfs/dbraw/zinc/60/40/55/1072604055.db2.gz LHSRQWAKACXPOP-YOEHRIQHSA-N 1 3 409.596 3.579 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000571574765 1072661250 /nfs/dbraw/zinc/66/12/50/1072661250.db2.gz CIQJEUIEXKDYKC-GMKZXUHWSA-N 1 3 407.606 3.967 20 0 HHADHO O=C(NCC1CC1)C1=CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21 ZINC001168381644 1072776636 /nfs/dbraw/zinc/77/66/36/1072776636.db2.gz YOUHUFHYBPXRBJ-UHFFFAOYSA-N 1 3 419.613 3.818 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000479409601 1072831685 /nfs/dbraw/zinc/83/16/85/1072831685.db2.gz FVSOIMCXUAZCBY-REWPJTCUSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000479409601 1072831700 /nfs/dbraw/zinc/83/17/00/1072831700.db2.gz FVSOIMCXUAZCBY-REWPJTCUSA-N 1 3 400.611 3.975 20 0 HHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000588770606 1073202166 /nfs/dbraw/zinc/20/21/66/1073202166.db2.gz UPOMRSPTXMRWCI-QFIPXVFZSA-N 1 3 415.626 3.913 20 0 HHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000588770606 1073202169 /nfs/dbraw/zinc/20/21/69/1073202169.db2.gz UPOMRSPTXMRWCI-QFIPXVFZSA-N 1 3 415.626 3.913 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186288 1073249039 /nfs/dbraw/zinc/24/90/39/1073249039.db2.gz QYIZFSGIWNGPDL-QHAWAJNXSA-N 1 3 400.954 3.687 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186288 1073249041 /nfs/dbraw/zinc/24/90/41/1073249041.db2.gz QYIZFSGIWNGPDL-QHAWAJNXSA-N 1 3 400.954 3.687 20 0 HHADHO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)n(C)n1 ZINC000446924243 1074107236 /nfs/dbraw/zinc/10/72/36/1074107236.db2.gz DVNMFJDVGIXJIK-NEWJYFPISA-N 1 3 407.606 3.588 20 0 HHADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000592489828 1074769433 /nfs/dbraw/zinc/76/94/33/1074769433.db2.gz BLAKHBAGHWMLKA-SFHVURJKSA-N 1 3 407.002 3.726 20 0 HHADHO CC(C)[NH+]1CCN(C2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000761125020 1075498603 /nfs/dbraw/zinc/49/86/03/1075498603.db2.gz WHVYHRZMXKFTBP-FQEVSTJZSA-N 1 3 400.394 3.517 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019576 721802425 /nfs/dbraw/zinc/80/24/25/721802425.db2.gz DCZLQIYYLYKKQC-BVSLBCMMSA-N 1 3 406.578 3.517 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019576 721802428 /nfs/dbraw/zinc/80/24/28/721802428.db2.gz DCZLQIYYLYKKQC-BVSLBCMMSA-N 1 3 406.578 3.517 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001165023251 721830450 /nfs/dbraw/zinc/83/04/50/721830450.db2.gz IKUTVQXIBBTPTN-AGILITTLSA-N 1 3 405.590 3.809 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001165023251 721830451 /nfs/dbraw/zinc/83/04/51/721830451.db2.gz IKUTVQXIBBTPTN-AGILITTLSA-N 1 3 405.590 3.809 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000542148806 1013084235 /nfs/dbraw/zinc/08/42/35/1013084235.db2.gz UMUVSWOLSDLAPO-KRWDZBQOSA-N 1 3 412.578 3.749 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000542148806 1013084248 /nfs/dbraw/zinc/08/42/48/1013084248.db2.gz UMUVSWOLSDLAPO-KRWDZBQOSA-N 1 3 412.578 3.749 20 0 HHADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303145284 971526688 /nfs/dbraw/zinc/52/66/88/971526688.db2.gz DPDQBLPOZBKFNX-HXUWFJFHSA-N 1 3 411.565 3.717 20 0 HHADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303145284 971526695 /nfs/dbraw/zinc/52/66/95/971526695.db2.gz DPDQBLPOZBKFNX-HXUWFJFHSA-N 1 3 411.565 3.717 20 0 HHADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172057 971541425 /nfs/dbraw/zinc/54/14/25/971541425.db2.gz VUVWDWCFUVKEMS-WIYYLYMNSA-N 1 3 411.512 3.679 20 0 HHADHO CC1(C)CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000303238564 971574335 /nfs/dbraw/zinc/57/43/35/971574335.db2.gz HUQNNSMAPFRYLK-NRFANRHFSA-N 1 3 410.562 3.723 20 0 HHADHO CC1(C)CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000303238564 971574349 /nfs/dbraw/zinc/57/43/49/971574349.db2.gz HUQNNSMAPFRYLK-NRFANRHFSA-N 1 3 410.562 3.723 20 0 HHADHO CC1(C)CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000303238564 971574364 /nfs/dbraw/zinc/57/43/64/971574364.db2.gz HUQNNSMAPFRYLK-NRFANRHFSA-N 1 3 410.562 3.723 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000303785784 972026580 /nfs/dbraw/zinc/02/65/80/972026580.db2.gz DMAYZHJXCJSKLP-ZJSXRUAMSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000303785784 972026584 /nfs/dbraw/zinc/02/65/84/972026584.db2.gz DMAYZHJXCJSKLP-ZJSXRUAMSA-N 1 3 408.590 3.904 20 0 HHADHO C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621850 1013167572 /nfs/dbraw/zinc/16/75/72/1013167572.db2.gz JHYRFADUOQPVCO-OFVILXPXSA-N 1 3 421.633 3.683 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621850 1013167582 /nfs/dbraw/zinc/16/75/82/1013167582.db2.gz JHYRFADUOQPVCO-OFVILXPXSA-N 1 3 421.633 3.683 20 0 HHADHO CCCCOc1cccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000553344488 1013287968 /nfs/dbraw/zinc/28/79/68/1013287968.db2.gz YSILPWWHTDCEFA-UHFFFAOYSA-N 1 3 401.595 3.678 20 0 HHADHO C[C@@H](CNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845758 1013410463 /nfs/dbraw/zinc/41/04/63/1013410463.db2.gz MQNXDKRPRHHRCB-SFTDATJTSA-N 1 3 408.590 3.928 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccc(Cl)c4ccccc34)CC2)CC1 ZINC000050801279 964401626 /nfs/dbraw/zinc/40/16/26/964401626.db2.gz GRSZCLOYFJUQQP-UHFFFAOYSA-N 1 3 415.965 3.547 20 0 HHADHO COc1ccc2cc([C@H](C)C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000050801667 964401774 /nfs/dbraw/zinc/40/17/74/964401774.db2.gz WXAZYPBEEYYOMK-SFHVURJKSA-N 1 3 409.574 3.627 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000050800769 964402252 /nfs/dbraw/zinc/40/22/52/964402252.db2.gz PVIRQAADFMHPGO-UHFFFAOYSA-N 1 3 413.537 3.693 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955493 1013535581 /nfs/dbraw/zinc/53/55/81/1013535581.db2.gz YMJQVDGWSJUWLS-GBESFXJTSA-N 1 3 409.368 3.630 20 0 HHADHO Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980947 1013557288 /nfs/dbraw/zinc/55/72/88/1013557288.db2.gz QJNIVBMNYAYFHT-WZONZLPQSA-N 1 3 415.603 3.563 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000030693654 965769106 /nfs/dbraw/zinc/76/91/06/965769106.db2.gz WUKVKKOSHGYWHY-RUZDIDTESA-N 1 3 422.617 3.637 20 0 HHADHO c1ccc([C@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000542697211 1013614701 /nfs/dbraw/zinc/61/47/01/1013614701.db2.gz HPSWULUKNLDOFM-VWLOTQADSA-N 1 3 402.542 3.873 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC000064229352 967095344 /nfs/dbraw/zinc/09/53/44/967095344.db2.gz XEBVQPCPAFLQLW-UHFFFAOYSA-N 1 3 400.542 3.551 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC000064229352 967095366 /nfs/dbraw/zinc/09/53/66/967095366.db2.gz XEBVQPCPAFLQLW-UHFFFAOYSA-N 1 3 400.542 3.551 20 0 HHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000045029262 967336308 /nfs/dbraw/zinc/33/63/08/967336308.db2.gz INOHOMYYUNMJEG-UHFFFAOYSA-N 1 3 406.574 3.569 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)N(C)C)cc1 ZINC000065469737 967482481 /nfs/dbraw/zinc/48/24/81/967482481.db2.gz SWTVEIDIOBTWHR-QHCPKHFHSA-N 1 3 400.611 3.895 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976254 967614281 /nfs/dbraw/zinc/61/42/81/967614281.db2.gz IXWMNEPHKNVPJP-VQTJNVASSA-N 1 3 401.599 3.521 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976254 967614285 /nfs/dbraw/zinc/61/42/85/967614285.db2.gz IXWMNEPHKNVPJP-VQTJNVASSA-N 1 3 401.599 3.521 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000065750147 968624235 /nfs/dbraw/zinc/62/42/35/968624235.db2.gz HGYRSKCFFBDPTA-SZPZYZBQSA-N 1 3 414.638 3.705 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000065750147 968624243 /nfs/dbraw/zinc/62/42/43/968624243.db2.gz HGYRSKCFFBDPTA-SZPZYZBQSA-N 1 3 414.638 3.705 20 0 HHADHO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109339330 969501593 /nfs/dbraw/zinc/50/15/93/969501593.db2.gz ZMRFSPLSKTYZNZ-HSZRJFAPSA-N 1 3 409.549 3.772 20 0 HHADHO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109339330 969501597 /nfs/dbraw/zinc/50/15/97/969501597.db2.gz ZMRFSPLSKTYZNZ-HSZRJFAPSA-N 1 3 409.549 3.772 20 0 HHADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110149887 969630147 /nfs/dbraw/zinc/63/01/47/969630147.db2.gz JZGLBNSDDQTYHJ-NRFANRHFSA-N 1 3 411.512 3.774 20 0 HHADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110149887 969630151 /nfs/dbraw/zinc/63/01/51/969630151.db2.gz JZGLBNSDDQTYHJ-NRFANRHFSA-N 1 3 411.512 3.774 20 0 HHADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152498 969630613 /nfs/dbraw/zinc/63/06/13/969630613.db2.gz LXSOISMOVMSBSX-WIYYLYMNSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)C[C@@H](C)O1 ZINC000110434132 969667382 /nfs/dbraw/zinc/66/73/82/969667382.db2.gz XJVJQAHNNWYYKM-HZPDHXFCSA-N 1 3 411.949 3.629 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C4SCCS4)c3)CC2)CC1 ZINC000215989031 970059632 /nfs/dbraw/zinc/05/96/32/970059632.db2.gz ZCQFMYOAPGJILQ-UHFFFAOYSA-N 1 3 420.648 3.845 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000236814359 970175359 /nfs/dbraw/zinc/17/53/59/970175359.db2.gz ZWXQRKFWXPUQNC-UHFFFAOYSA-N 1 3 420.601 3.631 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000236977928 970198896 /nfs/dbraw/zinc/19/88/96/970198896.db2.gz WXGNLYJURBHGDC-GOSISDBHSA-N 1 3 414.981 3.708 20 0 HHADHO COCCN1CCC(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000143557115 970201163 /nfs/dbraw/zinc/20/11/63/970201163.db2.gz CUNJELAOZHKEKQ-UHFFFAOYSA-N 1 3 402.583 3.683 20 0 HHADHO COCCN1CCC(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000143557115 970201171 /nfs/dbraw/zinc/20/11/71/970201171.db2.gz CUNJELAOZHKEKQ-UHFFFAOYSA-N 1 3 402.583 3.683 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145597470 970266192 /nfs/dbraw/zinc/26/61/92/970266192.db2.gz AJQAFFSDARNRBK-HXUWFJFHSA-N 1 3 402.652 3.770 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145597470 970266199 /nfs/dbraw/zinc/26/61/99/970266199.db2.gz AJQAFFSDARNRBK-HXUWFJFHSA-N 1 3 402.652 3.770 20 0 HHADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237609110 970322103 /nfs/dbraw/zinc/32/21/03/970322103.db2.gz DHSBGPNLOTWWOP-IYBDPMFKSA-N 1 3 406.521 3.746 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195548888 970505176 /nfs/dbraw/zinc/50/51/76/970505176.db2.gz PZMFOSFSOGLSKL-UHFFFAOYSA-N 1 3 412.553 3.695 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000195601445 970544182 /nfs/dbraw/zinc/54/41/82/970544182.db2.gz IFEIIPRNUXMIQW-QHCPKHFHSA-N 1 3 416.610 3.786 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)N2CCCC2)c1 ZINC000195601445 970544195 /nfs/dbraw/zinc/54/41/95/970544195.db2.gz IFEIIPRNUXMIQW-QHCPKHFHSA-N 1 3 416.610 3.786 20 0 HHADHO CC[C@H](Oc1ccccc1C(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000261464430 970702257 /nfs/dbraw/zinc/70/22/57/970702257.db2.gz RNBJSGVZBVVGRS-QFIPXVFZSA-N 1 3 401.595 3.642 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)(N2CCCCC2)CC1 ZINC000303970492 972557950 /nfs/dbraw/zinc/55/79/50/972557950.db2.gz SHXNUNAVZLSZTC-DLBZAZTESA-N 1 3 407.961 3.649 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)(N2CCCCC2)CC1 ZINC000303973968 972560217 /nfs/dbraw/zinc/56/02/17/972560217.db2.gz UUZYSMZDNQJREI-WOJBJXKFSA-N 1 3 423.523 3.875 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)(N2CCCCC2)CC1 ZINC000303973965 972560269 /nfs/dbraw/zinc/56/02/69/972560269.db2.gz UUZYSMZDNQJREI-PMACEKPBSA-N 1 3 423.523 3.875 20 0 HHADHO Brc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000311154677 972624876 /nfs/dbraw/zinc/62/48/76/972624876.db2.gz OAURNBFZSPCUMN-INIZCTEOSA-N 1 3 403.320 3.790 20 0 HHADHO Brc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc2c1OCO2 ZINC000311154681 972625693 /nfs/dbraw/zinc/62/56/93/972625693.db2.gz OAURNBFZSPCUMN-MRXNPFEDSA-N 1 3 403.320 3.790 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000409531887 972987237 /nfs/dbraw/zinc/98/72/37/972987237.db2.gz CVVNERTVIOYYDJ-VWLOTQADSA-N 1 3 420.601 3.542 20 0 HHADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000410310293 973853022 /nfs/dbraw/zinc/85/30/22/973853022.db2.gz IOJPIYDKUDDKMH-VWLOTQADSA-N 1 3 420.601 3.657 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377209 973974638 /nfs/dbraw/zinc/97/46/38/973974638.db2.gz YPMUVJFALHUZJC-SQJMNOBHSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377209 973974649 /nfs/dbraw/zinc/97/46/49/973974649.db2.gz YPMUVJFALHUZJC-SQJMNOBHSA-N 1 3 420.601 3.992 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000427717613 975250526 /nfs/dbraw/zinc/25/05/26/975250526.db2.gz HTUDPQYKCSXXNT-LJQANCHMSA-N 1 3 420.479 3.559 20 0 HHADHO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429018252 976299431 /nfs/dbraw/zinc/29/94/31/976299431.db2.gz GXENHAKAOBMPIC-FQEVSTJZSA-N 1 3 408.384 3.812 20 0 HHADHO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429018252 976299439 /nfs/dbraw/zinc/29/94/39/976299439.db2.gz GXENHAKAOBMPIC-FQEVSTJZSA-N 1 3 408.384 3.812 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423081 978805582 /nfs/dbraw/zinc/80/55/82/978805582.db2.gz WQSCWERCBGAWBI-NXWXRZEISA-N 1 3 411.512 3.847 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423081 978805584 /nfs/dbraw/zinc/80/55/84/978805584.db2.gz WQSCWERCBGAWBI-NXWXRZEISA-N 1 3 411.512 3.847 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000432955225 979022903 /nfs/dbraw/zinc/02/29/03/979022903.db2.gz LWYBOKDXNNGUIX-PMACEKPBSA-N 1 3 411.384 3.671 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000432955225 979022907 /nfs/dbraw/zinc/02/29/07/979022907.db2.gz LWYBOKDXNNGUIX-PMACEKPBSA-N 1 3 411.384 3.671 20 0 HHADHO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435529318 980923583 /nfs/dbraw/zinc/92/35/83/980923583.db2.gz REHXLUIXCROLAO-UNMCSNQZSA-N 1 3 424.593 3.634 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435532017 980924950 /nfs/dbraw/zinc/92/49/50/980924950.db2.gz CVYSDTRZCMBWEA-FGZHOGPDSA-N 1 3 424.593 3.587 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435532017 980924954 /nfs/dbraw/zinc/92/49/54/980924954.db2.gz CVYSDTRZCMBWEA-FGZHOGPDSA-N 1 3 424.593 3.587 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525334 981853865 /nfs/dbraw/zinc/85/38/65/981853865.db2.gz PZWWEFAUSYSLGH-VJBMBRPKSA-N 1 3 414.638 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525334 981853875 /nfs/dbraw/zinc/85/38/75/981853875.db2.gz PZWWEFAUSYSLGH-VJBMBRPKSA-N 1 3 414.638 3.831 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861626 983127254 /nfs/dbraw/zinc/12/72/54/983127254.db2.gz JGIOWGYDCUYPCV-XXBNENTESA-N 1 3 409.578 3.518 20 0 HHADHO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000439024735 983217095 /nfs/dbraw/zinc/21/70/95/983217095.db2.gz VGNGBRVLXZOIBQ-LJQANCHMSA-N 1 3 403.567 3.690 20 0 HHADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000439962370 983596498 /nfs/dbraw/zinc/59/64/98/983596498.db2.gz PYDWEYTUCSKEKF-QFIPXVFZSA-N 1 3 412.578 3.847 20 0 HHADHO CN1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1(C)C ZINC000442873510 985253188 /nfs/dbraw/zinc/25/31/88/985253188.db2.gz PJQUJVNAZYOSPI-GOSISDBHSA-N 1 3 402.583 3.942 20 0 HHADHO CN1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1(C)C ZINC000442872195 985253283 /nfs/dbraw/zinc/25/32/83/985253283.db2.gz HPHWDCPKENXSPC-KRWDZBQOSA-N 1 3 400.792 3.705 20 0 HHADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462539207 985487090 /nfs/dbraw/zinc/48/70/90/985487090.db2.gz QZWPVLHGDQENGW-MRXNPFEDSA-N 1 3 402.505 3.507 20 0 HHADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462539207 985487093 /nfs/dbraw/zinc/48/70/93/985487093.db2.gz QZWPVLHGDQENGW-MRXNPFEDSA-N 1 3 402.505 3.507 20 0 HHADHO CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468153760 985825183 /nfs/dbraw/zinc/82/51/83/985825183.db2.gz MBLLQDXGZZAPAI-NRFANRHFSA-N 1 3 408.537 3.664 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015027 985970171 /nfs/dbraw/zinc/97/01/71/985970171.db2.gz WVCALXBYRHGVMC-NQHRYMMQSA-N 1 3 420.601 3.670 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015027 985970181 /nfs/dbraw/zinc/97/01/81/985970181.db2.gz WVCALXBYRHGVMC-NQHRYMMQSA-N 1 3 420.601 3.670 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016653 985973164 /nfs/dbraw/zinc/97/31/64/985973164.db2.gz UWVCITSAZHZCTC-HYBUGGRVSA-N 1 3 406.574 3.602 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026711 985986144 /nfs/dbraw/zinc/98/61/44/985986144.db2.gz BSGPBBOPBDCGSG-SANMLTNESA-N 1 3 407.602 3.646 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026711 985986157 /nfs/dbraw/zinc/98/61/57/985986157.db2.gz BSGPBBOPBDCGSG-SANMLTNESA-N 1 3 407.602 3.646 20 0 HHADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CCN1Cc1ccccc1 ZINC000463070265 986026343 /nfs/dbraw/zinc/02/63/43/986026343.db2.gz SBHZTKHIIIZAGO-WIOPSUGQSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272791 986240266 /nfs/dbraw/zinc/24/02/66/986240266.db2.gz UITXOFSDLUFHFI-BWKNWUBXSA-N 1 3 420.601 3.813 20 0 HHADHO CCCC[N@H+](C)CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206687 986930658 /nfs/dbraw/zinc/93/06/58/986930658.db2.gz WQCFKQUSBKUMNH-QFIPXVFZSA-N 1 3 407.549 3.900 20 0 HHADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206687 986930669 /nfs/dbraw/zinc/93/06/69/986930669.db2.gz WQCFKQUSBKUMNH-QFIPXVFZSA-N 1 3 407.549 3.900 20 0 HHADHO Cc1cccc(N2CCN(CCC(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)CC2)c1 ZINC000469254066 986973512 /nfs/dbraw/zinc/97/35/12/986973512.db2.gz XXNMFVRUUPXWKO-UHFFFAOYSA-N 1 3 422.617 3.664 20 0 HHADHO Cc1cccc(N2CCN(CCC(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)CC2)c1 ZINC000469254066 986973520 /nfs/dbraw/zinc/97/35/20/986973520.db2.gz XXNMFVRUUPXWKO-UHFFFAOYSA-N 1 3 422.617 3.664 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000469372008 987068752 /nfs/dbraw/zinc/06/87/52/987068752.db2.gz VCCIKSVRLIHVNQ-UHFFFAOYSA-N 1 3 408.590 3.552 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522178 987198013 /nfs/dbraw/zinc/19/80/13/987198013.db2.gz OSSKTXKJDNBDDQ-FGZHOGPDSA-N 1 3 412.622 3.555 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522178 987198017 /nfs/dbraw/zinc/19/80/17/987198017.db2.gz OSSKTXKJDNBDDQ-FGZHOGPDSA-N 1 3 412.622 3.555 20 0 HHADHO CCOc1ccc(CN(C)C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000469759839 987413563 /nfs/dbraw/zinc/41/35/63/987413563.db2.gz DSUMRNVMPVBTPA-NHCUHLMSSA-N 1 3 423.601 3.790 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791557 987435926 /nfs/dbraw/zinc/43/59/26/987435926.db2.gz PSDPOYLFPMSDFL-IIMDRIAPSA-N 1 3 410.002 3.632 20 0 HHADHO C[C@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470520144 988518782 /nfs/dbraw/zinc/51/87/82/988518782.db2.gz IDLSHLZYJLXKAH-FQEVSTJZSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000470520144 988518795 /nfs/dbraw/zinc/51/87/95/988518795.db2.gz IDLSHLZYJLXKAH-FQEVSTJZSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470744486 988783767 /nfs/dbraw/zinc/78/37/67/988783767.db2.gz GYMNJHQBNLPOKB-XPNTWCBSSA-N 1 3 400.611 3.660 20 0 HHADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746103 988786283 /nfs/dbraw/zinc/78/62/83/988786283.db2.gz NBRJZGGTDAKGQS-RPWUZVMVSA-N 1 3 406.574 3.567 20 0 HHADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746103 988786289 /nfs/dbraw/zinc/78/62/89/988786289.db2.gz NBRJZGGTDAKGQS-RPWUZVMVSA-N 1 3 406.574 3.567 20 0 HHADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464830837 989071047 /nfs/dbraw/zinc/07/10/47/989071047.db2.gz MPJWFGCNURPBCP-VQTJNVASSA-N 1 3 406.640 3.798 20 0 HHADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464830837 989071059 /nfs/dbraw/zinc/07/10/59/989071059.db2.gz MPJWFGCNURPBCP-VQTJNVASSA-N 1 3 406.640 3.798 20 0 HHADHO COC(=O)c1ccc(OCC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000464859587 989114220 /nfs/dbraw/zinc/11/42/20/989114220.db2.gz YLEQELYBXSGCSP-LJQANCHMSA-N 1 3 416.949 3.959 20 0 HHADHO COC(=O)c1ccc(OCC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000464859587 989114225 /nfs/dbraw/zinc/11/42/25/989114225.db2.gz YLEQELYBXSGCSP-LJQANCHMSA-N 1 3 416.949 3.959 20 0 HHADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431590 989776570 /nfs/dbraw/zinc/77/65/70/989776570.db2.gz KINOKFUKQUYFHD-QPPBQGQZSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431590 989776579 /nfs/dbraw/zinc/77/65/79/989776579.db2.gz KINOKFUKQUYFHD-QPPBQGQZSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000465435222 989780802 /nfs/dbraw/zinc/78/08/02/989780802.db2.gz BNFANZBVEDGYFE-QFIPXVFZSA-N 1 3 420.601 3.957 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000471628458 989835948 /nfs/dbraw/zinc/83/59/48/989835948.db2.gz UYVNQFBGGGZLPF-UHFFFAOYSA-N 1 3 406.574 3.679 20 0 HHADHO C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000465524823 989881097 /nfs/dbraw/zinc/88/10/97/989881097.db2.gz DIFNXVMKHFLYAF-JOCHJYFZSA-N 1 3 420.601 3.741 20 0 HHADHO C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000465524823 989881109 /nfs/dbraw/zinc/88/11/09/989881109.db2.gz DIFNXVMKHFLYAF-JOCHJYFZSA-N 1 3 420.601 3.741 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000465524805 989881209 /nfs/dbraw/zinc/88/12/09/989881209.db2.gz DGKPYSQZSGIPED-UKILVPOCSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000465524805 989881223 /nfs/dbraw/zinc/88/12/23/989881223.db2.gz DGKPYSQZSGIPED-UKILVPOCSA-N 1 3 420.601 3.987 20 0 HHADHO CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000471681884 989885728 /nfs/dbraw/zinc/88/57/28/989885728.db2.gz BKFVYCBOEWNDHH-FQEVSTJZSA-N 1 3 418.379 3.981 20 0 HHADHO CC1CCN([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711157 990096512 /nfs/dbraw/zinc/09/65/12/990096512.db2.gz GQLACGJOHPVKSC-DHIUTWEWSA-N 1 3 400.611 3.975 20 0 HHADHO CC1CCN([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711157 990096524 /nfs/dbraw/zinc/09/65/24/990096524.db2.gz GQLACGJOHPVKSC-DHIUTWEWSA-N 1 3 400.611 3.975 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720271 990105729 /nfs/dbraw/zinc/10/57/29/990105729.db2.gz OECVPQHJARCGGS-JTHBVZDNSA-N 1 3 400.611 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720271 990105732 /nfs/dbraw/zinc/10/57/32/990105732.db2.gz OECVPQHJARCGGS-JTHBVZDNSA-N 1 3 400.611 3.833 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720270 990105785 /nfs/dbraw/zinc/10/57/85/990105785.db2.gz OECVPQHJARCGGS-GMAHTHKFSA-N 1 3 400.611 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720270 990105788 /nfs/dbraw/zinc/10/57/88/990105788.db2.gz OECVPQHJARCGGS-GMAHTHKFSA-N 1 3 400.611 3.833 20 0 HHADHO Cc1ccc2[nH]c(CNCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c1C ZINC000472046903 990214477 /nfs/dbraw/zinc/21/44/77/990214477.db2.gz HRDBHOKHDCWLKC-OAQYLSRUSA-N 1 3 404.558 3.772 20 0 HHADHO Cc1ccc2[nH]c(CNCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c1C ZINC000472046903 990214487 /nfs/dbraw/zinc/21/44/87/990214487.db2.gz HRDBHOKHDCWLKC-OAQYLSRUSA-N 1 3 404.558 3.772 20 0 HHADHO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000467080032 992385639 /nfs/dbraw/zinc/38/56/39/992385639.db2.gz CDBDCEPIZKKORY-XMMPIXPASA-N 1 3 408.590 3.597 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361878 992680260 /nfs/dbraw/zinc/68/02/60/992680260.db2.gz KJWZQGRKTWBAQQ-PZUNEJSGSA-N 1 3 403.570 3.575 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361878 992680267 /nfs/dbraw/zinc/68/02/67/992680267.db2.gz KJWZQGRKTWBAQQ-PZUNEJSGSA-N 1 3 403.570 3.575 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000467361879 992680482 /nfs/dbraw/zinc/68/04/82/992680482.db2.gz KJWZQGRKTWBAQQ-QLBJFCOMSA-N 1 3 403.570 3.575 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000467361879 992680486 /nfs/dbraw/zinc/68/04/86/992680486.db2.gz KJWZQGRKTWBAQQ-QLBJFCOMSA-N 1 3 403.570 3.575 20 0 HHADHO CN1CCC(O)(C[NH2+][C@H](Cc2ccccc2Br)c2ccc(F)cc2)CC1 ZINC000467739643 992989071 /nfs/dbraw/zinc/98/90/71/992989071.db2.gz HEDKVQLARAMFJZ-HXUWFJFHSA-N 1 3 421.354 3.918 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000480771843 993637488 /nfs/dbraw/zinc/63/74/88/993637488.db2.gz PTCDYJSDFVPBRJ-LJQANCHMSA-N 1 3 415.603 3.806 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480773706 993639685 /nfs/dbraw/zinc/63/96/85/993639685.db2.gz KGIHAEHYQUOABL-IBGZPJMESA-N 1 3 402.583 3.944 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480775682 993640922 /nfs/dbraw/zinc/64/09/22/993640922.db2.gz PSWKYLJPPBTCAQ-OAQYLSRUSA-N 1 3 421.589 3.592 20 0 HHADHO COc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1OC(F)F ZINC000480899697 993756911 /nfs/dbraw/zinc/75/69/11/993756911.db2.gz LMNXVINQGLSOJJ-KRWDZBQOSA-N 1 3 419.516 3.895 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298461 994154081 /nfs/dbraw/zinc/15/40/81/994154081.db2.gz CDQWMCMVNQZJTJ-PKTZIBPZSA-N 1 3 409.549 3.676 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298461 994154086 /nfs/dbraw/zinc/15/40/86/994154086.db2.gz CDQWMCMVNQZJTJ-PKTZIBPZSA-N 1 3 409.549 3.676 20 0 HHADHO C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539119 994370511 /nfs/dbraw/zinc/37/05/11/994370511.db2.gz YESLOLNDKQKKNC-JPYJTQIMSA-N 1 3 411.546 3.595 20 0 HHADHO C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000481580567 994419596 /nfs/dbraw/zinc/41/95/96/994419596.db2.gz KLHCZFYNDDSMSU-AWEZNQCLSA-N 1 3 421.335 3.969 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4ccc(C(F)(F)F)cc4)CC3)CC2)CC1 ZINC000473610277 994490380 /nfs/dbraw/zinc/49/03/80/994490380.db2.gz RLAIAGQUAVSYDX-UHFFFAOYSA-N 1 3 423.523 3.703 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000473728195 994623319 /nfs/dbraw/zinc/62/33/19/994623319.db2.gz DXEGMCCDBUMSIM-UHFFFAOYSA-N 1 3 411.512 3.703 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N(CC[NH+](CC)CC)CC(C)C)c2)CC1 ZINC000473827310 994757372 /nfs/dbraw/zinc/75/73/72/994757372.db2.gz HCDKLUUGQHANPU-UHFFFAOYSA-N 1 3 403.615 3.660 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2)CC1 ZINC000473836034 994769433 /nfs/dbraw/zinc/76/94/33/994769433.db2.gz LJRRBSKXWCCCGD-DEOSSOPVSA-N 1 3 421.589 3.787 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)c2)CC1 ZINC000473838647 994773930 /nfs/dbraw/zinc/77/39/30/994773930.db2.gz YANLJQRQUOJHIE-UHFFFAOYSA-N 1 3 413.610 3.605 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCC3CC[NH+](CCC(C)C)CC3)c2)CC1 ZINC000473839160 994774071 /nfs/dbraw/zinc/77/40/71/994774071.db2.gz YVFBQVWFLKJEPC-UHFFFAOYSA-N 1 3 415.626 3.708 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)c2)CC1 ZINC000473839420 994775014 /nfs/dbraw/zinc/77/50/14/994775014.db2.gz IPARYJZNVWXBOZ-FQEVSTJZSA-N 1 3 401.599 3.605 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)c2)CC1 ZINC000473839420 994775025 /nfs/dbraw/zinc/77/50/25/994775025.db2.gz IPARYJZNVWXBOZ-FQEVSTJZSA-N 1 3 401.599 3.605 20 0 HHADHO COC(=O)c1ccccc1-c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000481997589 994898796 /nfs/dbraw/zinc/89/87/96/994898796.db2.gz IURKMMQEWRIKMR-UHFFFAOYSA-N 1 3 412.530 3.810 20 0 HHADHO COc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc12 ZINC000482244452 995225478 /nfs/dbraw/zinc/22/54/78/995225478.db2.gz NYLBCUZDWUREAP-GOSISDBHSA-N 1 3 405.542 3.991 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(CNCc3nc4ccc(OC)cc4s3)cc2)CC1 ZINC000474366089 995345950 /nfs/dbraw/zinc/34/59/50/995345950.db2.gz FBJRXBDXOBBNMO-UHFFFAOYSA-N 1 3 410.587 3.732 20 0 HHADHO CN1CCC([NH+]2CCC(NCc3cn(Cc4ccccc4)nc3C(C)(C)C)CC2)CC1 ZINC000482609258 995606720 /nfs/dbraw/zinc/60/67/20/995606720.db2.gz VQICGIILRPPUHT-UHFFFAOYSA-N 1 3 423.649 3.877 20 0 HHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647420 995642334 /nfs/dbraw/zinc/64/23/34/995642334.db2.gz AYUHKLAAYFGZAI-UZLBHIALSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647420 995642342 /nfs/dbraw/zinc/64/23/42/995642342.db2.gz AYUHKLAAYFGZAI-UZLBHIALSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647415 995642382 /nfs/dbraw/zinc/64/23/82/995642382.db2.gz AYUHKLAAYFGZAI-OXJNMPFZSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647415 995642388 /nfs/dbraw/zinc/64/23/88/995642388.db2.gz AYUHKLAAYFGZAI-OXJNMPFZSA-N 1 3 417.500 3.836 20 0 HHADHO COc1ccc([C@@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1NC(C)=O ZINC000482873157 995807441 /nfs/dbraw/zinc/80/74/41/995807441.db2.gz KHSBSABOMSVPSW-GOSISDBHSA-N 1 3 411.546 3.979 20 0 HHADHO C[C@H]1C[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875077 995809348 /nfs/dbraw/zinc/80/93/48/995809348.db2.gz QJWNEZNXUKTOQZ-KSSFIOAISA-N 1 3 408.384 3.530 20 0 HHADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000482884422 995816332 /nfs/dbraw/zinc/81/63/32/995816332.db2.gz DXQJSKMBVCYBTD-FQEVSTJZSA-N 1 3 409.574 3.859 20 0 HHADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015812 995871911 /nfs/dbraw/zinc/87/19/11/995871911.db2.gz KLLJINOZIUAJMS-RTWAWAEBSA-N 1 3 412.603 3.801 20 0 HHADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015812 995871917 /nfs/dbraw/zinc/87/19/17/995871917.db2.gz KLLJINOZIUAJMS-RTWAWAEBSA-N 1 3 412.603 3.801 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000483120594 995987773 /nfs/dbraw/zinc/98/77/73/995987773.db2.gz OULUTYSIZIYEOD-GOSISDBHSA-N 1 3 405.583 3.595 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000483136104 995996644 /nfs/dbraw/zinc/99/66/44/995996644.db2.gz HKCHHQSWWYVQRI-AWEZNQCLSA-N 1 3 408.801 3.688 20 0 HHADHO COCCN(C)c1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000483291911 996083778 /nfs/dbraw/zinc/08/37/78/996083778.db2.gz FYPQSZJOBJCBLG-UHFFFAOYSA-N 1 3 408.590 3.652 20 0 HHADHO COCCN(C)c1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000483291911 996083781 /nfs/dbraw/zinc/08/37/81/996083781.db2.gz FYPQSZJOBJCBLG-UHFFFAOYSA-N 1 3 408.590 3.652 20 0 HHADHO CC(C)N1CCC([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475545709 996212439 /nfs/dbraw/zinc/21/24/39/996212439.db2.gz BRXAIZXMLUGRHU-UHFFFAOYSA-N 1 3 410.400 3.590 20 0 HHADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475545709 996212443 /nfs/dbraw/zinc/21/24/43/996212443.db2.gz BRXAIZXMLUGRHU-UHFFFAOYSA-N 1 3 410.400 3.590 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487171 996212803 /nfs/dbraw/zinc/21/28/03/996212803.db2.gz AQPUNABPFBMSTO-GSLIJJQTSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487171 996212810 /nfs/dbraw/zinc/21/28/10/996212810.db2.gz AQPUNABPFBMSTO-GSLIJJQTSA-N 1 3 424.585 3.559 20 0 HHADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000483521385 996230737 /nfs/dbraw/zinc/23/07/37/996230737.db2.gz XVFIAFSVBVAEOZ-GOSISDBHSA-N 1 3 417.001 3.522 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705951 996339560 /nfs/dbraw/zinc/33/95/60/996339560.db2.gz DDIOXJQQPUQPKK-VCOUNFBDSA-N 1 3 404.599 3.592 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705951 996339573 /nfs/dbraw/zinc/33/95/73/996339573.db2.gz DDIOXJQQPUQPKK-VCOUNFBDSA-N 1 3 404.599 3.592 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705948 996339599 /nfs/dbraw/zinc/33/95/99/996339599.db2.gz DDIOXJQQPUQPKK-CBQOVEMMSA-N 1 3 404.599 3.592 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705948 996339604 /nfs/dbraw/zinc/33/96/04/996339604.db2.gz DDIOXJQQPUQPKK-CBQOVEMMSA-N 1 3 404.599 3.592 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488277 996809339 /nfs/dbraw/zinc/80/93/39/996809339.db2.gz UVZDEAJGKWNMBO-SCTDSRPQSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488277 996809350 /nfs/dbraw/zinc/80/93/50/996809350.db2.gz UVZDEAJGKWNMBO-SCTDSRPQSA-N 1 3 413.400 3.943 20 0 HHADHO CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(C2CC2)C1 ZINC000476442457 996913958 /nfs/dbraw/zinc/91/39/58/996913958.db2.gz WMFSIOBNTGKERT-QHCPKHFHSA-N 1 3 406.574 3.793 20 0 HHADHO CN(C)C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000485232219 997608623 /nfs/dbraw/zinc/60/86/23/997608623.db2.gz QEAJDNRFKXUBJG-QHCPKHFHSA-N 1 3 412.553 3.640 20 0 HHADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000485308849 997717457 /nfs/dbraw/zinc/71/74/57/997717457.db2.gz HXTDCRYEPKFUQK-DIMPSALBSA-N 1 3 410.606 3.842 20 0 HHADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000485308849 997717465 /nfs/dbraw/zinc/71/74/65/997717465.db2.gz HXTDCRYEPKFUQK-DIMPSALBSA-N 1 3 410.606 3.842 20 0 HHADHO CCOc1ccc(NC(=O)CC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000485400527 997831505 /nfs/dbraw/zinc/83/15/05/997831505.db2.gz BVUOWNGPOQJSSE-BGYRXZFFSA-N 1 3 417.594 3.625 20 0 HHADHO CCOc1ccc(NC(=O)CC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000485400528 997831627 /nfs/dbraw/zinc/83/16/27/997831627.db2.gz BVUOWNGPOQJSSE-PMACEKPBSA-N 1 3 417.594 3.625 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465655 997910570 /nfs/dbraw/zinc/91/05/70/997910570.db2.gz OGNVOYMDTLXLJE-HSALFYBXSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465655 997910576 /nfs/dbraw/zinc/91/05/76/997910576.db2.gz OGNVOYMDTLXLJE-HSALFYBXSA-N 1 3 404.624 3.647 20 0 HHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN(C2CCCCC2)CC1 ZINC000485492167 997944213 /nfs/dbraw/zinc/94/42/13/997944213.db2.gz LMZNNNBTBYUEKR-IBGZPJMESA-N 1 3 404.624 3.620 20 0 HHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN(C2CCCCC2)CC1 ZINC000485492167 997944216 /nfs/dbraw/zinc/94/42/16/997944216.db2.gz LMZNNNBTBYUEKR-IBGZPJMESA-N 1 3 404.624 3.620 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477998472 998706782 /nfs/dbraw/zinc/70/67/82/998706782.db2.gz VEZIQJMSBXCQGI-OAQYLSRUSA-N 1 3 415.528 3.767 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477998472 998706790 /nfs/dbraw/zinc/70/67/90/998706790.db2.gz VEZIQJMSBXCQGI-OAQYLSRUSA-N 1 3 415.528 3.767 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000478185957 998810569 /nfs/dbraw/zinc/81/05/69/998810569.db2.gz XGOHUGWTABUJGR-IYBDPMFKSA-N 1 3 406.368 3.976 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486976043 999024740 /nfs/dbraw/zinc/02/47/40/999024740.db2.gz RCUBPGVQBXBRRF-IBGZPJMESA-N 1 3 416.585 3.663 20 0 HHADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000478903667 999202730 /nfs/dbraw/zinc/20/27/30/999202730.db2.gz XOWYINBJOGNBGP-OFVILXPXSA-N 1 3 420.601 3.656 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437278 999416807 /nfs/dbraw/zinc/41/68/07/999416807.db2.gz LRSXEWIUQVLWJF-LADGPHEKSA-N 1 3 402.542 3.606 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437278 999416810 /nfs/dbraw/zinc/41/68/10/999416810.db2.gz LRSXEWIUQVLWJF-LADGPHEKSA-N 1 3 402.542 3.606 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(Cc4ccc(Cl)cc4)CCC3)CC2)CC1 ZINC000488502312 999509718 /nfs/dbraw/zinc/50/97/18/999509718.db2.gz MRSWXXFINUFEKD-UHFFFAOYSA-N 1 3 419.013 3.663 20 0 HHADHO C(CN1CCC(OC2CCCC2)CC1)OCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000488677330 999568732 /nfs/dbraw/zinc/56/87/32/999568732.db2.gz YUDQDEMXTYFTBH-UHFFFAOYSA-N 1 3 408.627 3.850 20 0 HHADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000480272157 999760782 /nfs/dbraw/zinc/76/07/82/999760782.db2.gz AKLPYNVGXHAJOQ-SFHVURJKSA-N 1 3 403.592 3.630 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441931 999768232 /nfs/dbraw/zinc/76/82/32/999768232.db2.gz UHHNSNJAHWYPCW-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441931 999768239 /nfs/dbraw/zinc/76/82/39/999768239.db2.gz UHHNSNJAHWYPCW-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394513 999788357 /nfs/dbraw/zinc/78/83/57/999788357.db2.gz OMXIUQIQTCPVEF-VEYUFSJPSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394513 999788362 /nfs/dbraw/zinc/78/83/62/999788362.db2.gz OMXIUQIQTCPVEF-VEYUFSJPSA-N 1 3 408.586 3.878 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480449558 999801776 /nfs/dbraw/zinc/80/17/76/999801776.db2.gz ZIHLVILMLIGAQS-LJQANCHMSA-N 1 3 415.603 3.919 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000489773160 999835500 /nfs/dbraw/zinc/83/55/00/999835500.db2.gz KOHYJPPWSSQSSK-DQEYMECFSA-N 1 3 420.601 3.515 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000489773160 999835502 /nfs/dbraw/zinc/83/55/02/999835502.db2.gz KOHYJPPWSSQSSK-DQEYMECFSA-N 1 3 420.601 3.515 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173575 999904972 /nfs/dbraw/zinc/90/49/72/999904972.db2.gz WMTFQICKPOGSDZ-AVRDEDQJSA-N 1 3 403.517 3.993 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256226 999923039 /nfs/dbraw/zinc/92/30/39/999923039.db2.gz XFVWMXDMCTUUSM-REWPJTCUSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000491059111 1000040580 /nfs/dbraw/zinc/04/05/80/1000040580.db2.gz JOJHHYIMOJCHEE-LVXARBLLSA-N 1 3 404.602 3.581 20 0 HHADHO CC(=O)N1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000492226257 1000116289 /nfs/dbraw/zinc/11/62/89/1000116289.db2.gz VDTZUFWGFAOSKI-RUZDIDTESA-N 1 3 407.558 3.744 20 0 HHADHO COc1ccc([C@H]2CCN([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521328 1000248640 /nfs/dbraw/zinc/24/86/40/1000248640.db2.gz KPTLFXOSCOPRTF-REWPJTCUSA-N 1 3 421.585 3.654 20 0 HHADHO Cc1cccc(C)c1OCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494584557 1000565022 /nfs/dbraw/zinc/56/50/22/1000565022.db2.gz VLZJWCRDHQBCSK-UHFFFAOYSA-N 1 3 423.601 3.642 20 0 HHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000505415037 1000757597 /nfs/dbraw/zinc/75/75/97/1000757597.db2.gz MSRDOXBAUOCFLL-NRFANRHFSA-N 1 3 401.501 3.522 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000505726790 1000995131 /nfs/dbraw/zinc/99/51/31/1000995131.db2.gz NARSMEAVGBXKRJ-IGKWTDBASA-N 1 3 424.589 3.823 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000497215889 1001281829 /nfs/dbraw/zinc/28/18/29/1001281829.db2.gz SYLUHYHEPYHYOV-UHFFFAOYSA-N 1 3 421.511 3.881 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000506294193 1001334927 /nfs/dbraw/zinc/33/49/27/1001334927.db2.gz HXYXHNAVGZTEHC-UHFFFAOYSA-N 1 3 420.601 3.613 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526612 1001451548 /nfs/dbraw/zinc/45/15/48/1001451548.db2.gz QOOMTKNATIATJQ-FPOVZHCZSA-N 1 3 407.549 3.772 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526612 1001451550 /nfs/dbraw/zinc/45/15/50/1001451550.db2.gz QOOMTKNATIATJQ-FPOVZHCZSA-N 1 3 407.549 3.772 20 0 HHADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000497615487 1001459634 /nfs/dbraw/zinc/45/96/34/1001459634.db2.gz PPHQYAUVPFXOBC-NRFANRHFSA-N 1 3 401.570 3.809 20 0 HHADHO CN(C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497617531 1001460496 /nfs/dbraw/zinc/46/04/96/1001460496.db2.gz QUXZXNZLWGWWPZ-HNTVYWHESA-N 1 3 412.622 3.726 20 0 HHADHO CN(C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497617531 1001460499 /nfs/dbraw/zinc/46/04/99/1001460499.db2.gz QUXZXNZLWGWWPZ-HNTVYWHESA-N 1 3 412.622 3.726 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)N(C)C)cc1 ZINC000506621463 1001473988 /nfs/dbraw/zinc/47/39/88/1001473988.db2.gz RPMPCQHXDMOPLX-FUDKSRODSA-N 1 3 400.611 3.894 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)N(C)C)cc1 ZINC000506621463 1001473992 /nfs/dbraw/zinc/47/39/92/1001473992.db2.gz RPMPCQHXDMOPLX-FUDKSRODSA-N 1 3 400.611 3.894 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000506731640 1001508042 /nfs/dbraw/zinc/50/80/42/1001508042.db2.gz RMIGREMPQRKGEH-UHFFFAOYSA-N 1 3 406.574 3.679 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691438 1002078336 /nfs/dbraw/zinc/07/83/36/1002078336.db2.gz CZRKDOUSLNAUIM-FTBPSBKWSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691438 1002078337 /nfs/dbraw/zinc/07/83/37/1002078337.db2.gz CZRKDOUSLNAUIM-FTBPSBKWSA-N 1 3 420.601 3.813 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717171 1002099076 /nfs/dbraw/zinc/09/90/76/1002099076.db2.gz LVTKGWOWBFAOCL-RBBKRZOGSA-N 1 3 412.578 3.572 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717171 1002099089 /nfs/dbraw/zinc/09/90/89/1002099089.db2.gz LVTKGWOWBFAOCL-RBBKRZOGSA-N 1 3 412.578 3.572 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507510912 1002121438 /nfs/dbraw/zinc/12/14/38/1002121438.db2.gz NNJOIVNWZDXVBS-KKUQBAQOSA-N 1 3 413.565 3.897 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507510912 1002121444 /nfs/dbraw/zinc/12/14/44/1002121444.db2.gz NNJOIVNWZDXVBS-KKUQBAQOSA-N 1 3 413.565 3.897 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102064 1002492922 /nfs/dbraw/zinc/49/29/22/1002492922.db2.gz QDSWICGKVVXSLQ-IEXUWNMDSA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499102064 1002492927 /nfs/dbraw/zinc/49/29/27/1002492927.db2.gz QDSWICGKVVXSLQ-IEXUWNMDSA-N 1 3 424.589 3.508 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114487 1002503686 /nfs/dbraw/zinc/50/36/86/1002503686.db2.gz XVFJKMLFMYZYNP-NPDDRXJXSA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114487 1002503695 /nfs/dbraw/zinc/50/36/95/1002503695.db2.gz XVFJKMLFMYZYNP-NPDDRXJXSA-N 1 3 412.578 3.919 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162183 1002548235 /nfs/dbraw/zinc/54/82/35/1002548235.db2.gz AHROVFHJUIEVHO-XDZVQPMWSA-N 1 3 405.586 3.845 20 0 HHADHO COc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2=O)cc1 ZINC000499216794 1002601173 /nfs/dbraw/zinc/60/11/73/1002601173.db2.gz TVYRKDSNIKWQRW-AANQFLQQSA-N 1 3 419.569 3.581 20 0 HHADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221127 1002606896 /nfs/dbraw/zinc/60/68/96/1002606896.db2.gz CYASOIIQNAEJGW-KQPVPGJTSA-N 1 3 418.629 3.982 20 0 HHADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221127 1002606908 /nfs/dbraw/zinc/60/69/08/1002606908.db2.gz CYASOIIQNAEJGW-KQPVPGJTSA-N 1 3 418.629 3.982 20 0 HHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662561 1003021479 /nfs/dbraw/zinc/02/14/79/1003021479.db2.gz HOOIPNQLGHPVAH-XUZZJYLKSA-N 1 3 404.602 3.724 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000508604197 1003059797 /nfs/dbraw/zinc/05/97/97/1003059797.db2.gz MHYDUWNLXQYVAL-UHFFFAOYSA-N 1 3 422.617 3.596 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000508604197 1003059793 /nfs/dbraw/zinc/05/97/93/1003059793.db2.gz MHYDUWNLXQYVAL-UHFFFAOYSA-N 1 3 422.617 3.596 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365706 1003794214 /nfs/dbraw/zinc/79/42/14/1003794214.db2.gz LENNOJJSBSSENX-YLJYHZDGSA-N 1 3 410.587 3.592 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365706 1003794221 /nfs/dbraw/zinc/79/42/21/1003794221.db2.gz LENNOJJSBSSENX-YLJYHZDGSA-N 1 3 410.587 3.592 20 0 HHADHO CC[C@@H](C)N[C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604398 1003974138 /nfs/dbraw/zinc/97/41/38/1003974138.db2.gz SWZMASLESVOBLA-WIYYLYMNSA-N 1 3 413.566 3.662 20 0 HHADHO CN1CCC([NH+]2CCC(NCc3cnn(-c4ccc(C(F)(F)F)cc4)c3)CC2)CC1 ZINC000512125339 1004040739 /nfs/dbraw/zinc/04/07/39/1004040739.db2.gz WWKOCBPMJNXODP-UHFFFAOYSA-N 1 3 421.511 3.539 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000512183737 1004085917 /nfs/dbraw/zinc/08/59/17/1004085917.db2.gz VXHDVBSXIVSYFI-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000512183737 1004085926 /nfs/dbraw/zinc/08/59/26/1004085926.db2.gz VXHDVBSXIVSYFI-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512197133 1004097312 /nfs/dbraw/zinc/09/73/12/1004097312.db2.gz SJWRWXFIPBEAGZ-BGYRXZFFSA-N 1 3 410.606 3.869 20 0 HHADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512197133 1004097322 /nfs/dbraw/zinc/09/73/22/1004097322.db2.gz SJWRWXFIPBEAGZ-BGYRXZFFSA-N 1 3 410.606 3.869 20 0 HHADHO CC(C)N1CCN(CCC[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)CC1 ZINC000501013371 1004116790 /nfs/dbraw/zinc/11/67/90/1004116790.db2.gz ZNWCCJLZADJOSS-UHFFFAOYSA-N 1 3 415.601 3.507 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)CC1 ZINC000501013371 1004116793 /nfs/dbraw/zinc/11/67/93/1004116793.db2.gz ZNWCCJLZADJOSS-UHFFFAOYSA-N 1 3 415.601 3.507 20 0 HHADHO C[C@H](C(=O)N1CCSc2ccccc21)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501021602 1004123977 /nfs/dbraw/zinc/12/39/77/1004123977.db2.gz GRJVSGNUWSQIBX-GOSISDBHSA-N 1 3 410.587 3.757 20 0 HHADHO C[C@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000501028470 1004132638 /nfs/dbraw/zinc/13/26/38/1004132638.db2.gz YXMMOPVMDJJSFD-KRWDZBQOSA-N 1 3 400.954 3.761 20 0 HHADHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235500 1004135907 /nfs/dbraw/zinc/13/59/07/1004135907.db2.gz CJKMBNFCSWWDMT-JYFHCDHNSA-N 1 3 418.585 3.612 20 0 HHADHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235500 1004135910 /nfs/dbraw/zinc/13/59/10/1004135910.db2.gz CJKMBNFCSWWDMT-JYFHCDHNSA-N 1 3 418.585 3.612 20 0 HHADHO C[C@@H](C(=O)Nc1nc2ccccc2s1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071918 1004174620 /nfs/dbraw/zinc/17/46/20/1004174620.db2.gz ARZODEYUFKWUBH-INIZCTEOSA-N 1 3 409.559 3.867 20 0 HHADHO CC(C)[C@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501074366 1004178136 /nfs/dbraw/zinc/17/81/36/1004178136.db2.gz HDOYLBAXYMKFKJ-DEOSSOPVSA-N 1 3 412.553 3.882 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413263 1004280786 /nfs/dbraw/zinc/28/07/86/1004280786.db2.gz USADKKCDAVUDDX-IFMALSPDSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413263 1004280795 /nfs/dbraw/zinc/28/07/95/1004280795.db2.gz USADKKCDAVUDDX-IFMALSPDSA-N 1 3 412.578 3.654 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618279 1004431292 /nfs/dbraw/zinc/43/12/92/1004431292.db2.gz IACZVNHJWFHTPF-YWQGAKJTSA-N 1 3 416.512 3.595 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618279 1004431298 /nfs/dbraw/zinc/43/12/98/1004431298.db2.gz IACZVNHJWFHTPF-YWQGAKJTSA-N 1 3 416.512 3.595 20 0 HHADHO c1ncn(Cc2ccc(CN[C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646764 1004458339 /nfs/dbraw/zinc/45/83/39/1004458339.db2.gz CYLLCBQCUGMHRY-GVAUOCQISA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccc(CN[C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646764 1004458343 /nfs/dbraw/zinc/45/83/43/1004458343.db2.gz CYLLCBQCUGMHRY-GVAUOCQISA-N 1 3 401.558 3.717 20 0 HHADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708693 1004508647 /nfs/dbraw/zinc/50/86/47/1004508647.db2.gz VFRDRIZOWYCNBF-QNWVGRARSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708693 1004508654 /nfs/dbraw/zinc/50/86/54/1004508654.db2.gz VFRDRIZOWYCNBF-QNWVGRARSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710945 1004509644 /nfs/dbraw/zinc/50/96/44/1004509644.db2.gz CLEZMDAWXODRKZ-UNMCSNQZSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710945 1004509652 /nfs/dbraw/zinc/50/96/52/1004509652.db2.gz CLEZMDAWXODRKZ-UNMCSNQZSA-N 1 3 412.622 3.945 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000501602511 1004545106 /nfs/dbraw/zinc/54/51/06/1004545106.db2.gz NDXJPYNVTFZELL-QHCPKHFHSA-N 1 3 416.610 3.786 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000501602511 1004545115 /nfs/dbraw/zinc/54/51/15/1004545115.db2.gz NDXJPYNVTFZELL-QHCPKHFHSA-N 1 3 416.610 3.786 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N(C)C)cc1 ZINC000512830677 1004588904 /nfs/dbraw/zinc/58/89/04/1004588904.db2.gz BLVICZUUOOOQPQ-FUPPJEDESA-N 1 3 416.610 3.733 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N(C)C)cc1 ZINC000512830677 1004588911 /nfs/dbraw/zinc/58/89/11/1004588911.db2.gz BLVICZUUOOOQPQ-FUPPJEDESA-N 1 3 416.610 3.733 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000512919524 1004693316 /nfs/dbraw/zinc/69/33/16/1004693316.db2.gz ZXISDTNPKOICBA-RBBKRZOGSA-N 1 3 404.599 3.592 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000512919524 1004693320 /nfs/dbraw/zinc/69/33/20/1004693320.db2.gz ZXISDTNPKOICBA-RBBKRZOGSA-N 1 3 404.599 3.592 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501799998 1004742452 /nfs/dbraw/zinc/74/24/52/1004742452.db2.gz HVDSYAQLBDYZJF-DEOSSOPVSA-N 1 3 406.574 3.919 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000501894574 1004798883 /nfs/dbraw/zinc/79/88/83/1004798883.db2.gz VPUJBBHGGZCOAR-UHFFFAOYSA-N 1 3 422.617 3.989 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000513095561 1004803334 /nfs/dbraw/zinc/80/33/34/1004803334.db2.gz PEICMJOEKZDABF-UHFFFAOYSA-N 1 3 424.564 3.818 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)c(C)c2)CC1 ZINC000511178455 1005060750 /nfs/dbraw/zinc/06/07/50/1005060750.db2.gz VBSSHNANIPQPLE-UHFFFAOYSA-N 1 3 401.599 3.521 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4ccc(C(C)(C)C)cc4C3)CC2)CC1 ZINC000511417011 1005167232 /nfs/dbraw/zinc/16/72/32/1005167232.db2.gz GQXOYKBJEZUZSK-UHFFFAOYSA-N 1 3 412.622 3.610 20 0 HHADHO C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)Cc1ccccc1 ZINC000502788680 1005217859 /nfs/dbraw/zinc/21/78/59/1005217859.db2.gz IIHCOWNWKYXQBU-RDABAPPSSA-N 1 3 400.611 3.849 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N2CCCC2)c1 ZINC000502813015 1005227825 /nfs/dbraw/zinc/22/78/25/1005227825.db2.gz VHBABACXPPWAIE-HSZRJFAPSA-N 1 3 416.610 3.643 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846388 1005242277 /nfs/dbraw/zinc/24/22/77/1005242277.db2.gz DLLVJGFCBLTAFY-APWZRJJASA-N 1 3 414.516 3.824 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502847630 1005242778 /nfs/dbraw/zinc/24/27/78/1005242778.db2.gz UAKCRTWUFMQCRQ-FQEVSTJZSA-N 1 3 400.611 3.777 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502847630 1005242782 /nfs/dbraw/zinc/24/27/82/1005242782.db2.gz UAKCRTWUFMQCRQ-FQEVSTJZSA-N 1 3 400.611 3.777 20 0 HHADHO Cc1ccc([C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc2)cc1 ZINC000514065920 1005251292 /nfs/dbraw/zinc/25/12/92/1005251292.db2.gz HFDSHDQEBYAUNS-VWLOTQADSA-N 1 3 420.601 3.942 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000511664433 1005267654 /nfs/dbraw/zinc/26/76/54/1005267654.db2.gz GGNCIMXGGVYEKS-UHFFFAOYSA-N 1 3 414.619 3.726 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000511671479 1005270383 /nfs/dbraw/zinc/27/03/83/1005270383.db2.gz NYBCGJYLQROFCM-UHFFFAOYSA-N 1 3 415.500 3.501 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171454 1005297960 /nfs/dbraw/zinc/29/79/60/1005297960.db2.gz BQHKLKAFMBIXBR-ZEQRLZLVSA-N 1 3 406.574 3.706 20 0 HHADHO CCCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000503298425 1005385986 /nfs/dbraw/zinc/38/59/86/1005385986.db2.gz CEIZQVGLOJLNEL-HSZRJFAPSA-N 1 3 416.610 3.784 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCN3CCc4ccccc4C3)C2)CC1 ZINC000503398122 1005407947 /nfs/dbraw/zinc/40/79/47/1005407947.db2.gz ZTGAAVJUDHRIIA-JOCHJYFZSA-N 1 3 412.622 3.588 20 0 HHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503400028 1005408434 /nfs/dbraw/zinc/40/84/34/1005408434.db2.gz MZJGTCSBUOMMJU-ZEQRLZLVSA-N 1 3 412.622 3.949 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)CC1 ZINC000503476023 1005431966 /nfs/dbraw/zinc/43/19/66/1005431966.db2.gz VMVOSQOGPOADFT-ISKFKSNPSA-N 1 3 412.622 3.977 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496491 1005437246 /nfs/dbraw/zinc/43/72/46/1005437246.db2.gz AELGUIYGNZLOBB-NOZRDPDXSA-N 1 3 422.617 3.716 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496491 1005437250 /nfs/dbraw/zinc/43/72/50/1005437250.db2.gz AELGUIYGNZLOBB-NOZRDPDXSA-N 1 3 422.617 3.716 20 0 HHADHO C[N@H+](CCOc1cccc(CNCc2cnc(-c3ccccc3)[nH]2)c1)C1CCOCC1 ZINC000531251082 1006070905 /nfs/dbraw/zinc/07/09/05/1006070905.db2.gz IKNPHZXOOZVMBL-UHFFFAOYSA-N 1 3 420.557 3.856 20 0 HHADHO C[N@@H+](CCOc1cccc(CNCc2cnc(-c3ccccc3)[nH]2)c1)C1CCOCC1 ZINC000531251082 1006070912 /nfs/dbraw/zinc/07/09/12/1006070912.db2.gz IKNPHZXOOZVMBL-UHFFFAOYSA-N 1 3 420.557 3.856 20 0 HHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnc([C@@H]4CCCO4)s3)CC2)c1 ZINC000534452685 1006434752 /nfs/dbraw/zinc/43/47/52/1006434752.db2.gz NNONVUXJDLMIGN-QFIPXVFZSA-N 1 3 414.619 3.995 20 0 HHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)o1 ZINC000532015464 1006577348 /nfs/dbraw/zinc/57/73/48/1006577348.db2.gz MQYVEEQCXOEZBM-PKTZIBPZSA-N 1 3 420.557 3.908 20 0 HHADHO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000532201550 1006718141 /nfs/dbraw/zinc/71/81/41/1006718141.db2.gz NTLYNKOOEWRDHL-SFHVURJKSA-N 1 3 401.576 3.895 20 0 HHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532224852 1006732958 /nfs/dbraw/zinc/73/29/58/1006732958.db2.gz JPYNZKAKKFYNEB-HOTGVXAUSA-N 1 3 413.484 3.513 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532224851 1006733202 /nfs/dbraw/zinc/73/32/02/1006733202.db2.gz JPYNZKAKKFYNEB-CVEARBPZSA-N 1 3 413.484 3.513 20 0 HHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532224854 1006733349 /nfs/dbraw/zinc/73/33/49/1006733349.db2.gz JPYNZKAKKFYNEB-JKSUJKDBSA-N 1 3 413.484 3.513 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000532248925 1006748418 /nfs/dbraw/zinc/74/84/18/1006748418.db2.gz GZWVWCTWOJXEIQ-KRWDZBQOSA-N 1 3 403.567 3.808 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000532296064 1006778999 /nfs/dbraw/zinc/77/89/99/1006778999.db2.gz RUCFDDMAXGNGJE-QFIPXVFZSA-N 1 3 422.617 3.843 20 0 HHADHO CCN(CC)C(=O)c1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000532361179 1006819344 /nfs/dbraw/zinc/81/93/44/1006819344.db2.gz LESBDNQSPFUWDY-UHFFFAOYSA-N 1 3 422.617 3.989 20 0 HHADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000532455026 1006897358 /nfs/dbraw/zinc/89/73/58/1006897358.db2.gz TYSIKUVLFITWMJ-SFHVURJKSA-N 1 3 403.592 3.630 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000538761871 1007045594 /nfs/dbraw/zinc/04/55/94/1007045594.db2.gz IEHPIEHDVDZIQO-PMACEKPBSA-N 1 3 410.562 3.980 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089634 1007103019 /nfs/dbraw/zinc/10/30/19/1007103019.db2.gz STPMTWGKKNIADQ-CAOCKLPOSA-N 1 3 421.585 3.641 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089634 1007103024 /nfs/dbraw/zinc/10/30/24/1007103024.db2.gz STPMTWGKKNIADQ-CAOCKLPOSA-N 1 3 421.585 3.641 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089652 1007103306 /nfs/dbraw/zinc/10/33/06/1007103306.db2.gz STPMTWGKKNIADQ-QLBJFCOMSA-N 1 3 421.585 3.641 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089652 1007103314 /nfs/dbraw/zinc/10/33/14/1007103314.db2.gz STPMTWGKKNIADQ-QLBJFCOMSA-N 1 3 421.585 3.641 20 0 HHADHO C[C@H](C(=O)N1CCCc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944952 1007229133 /nfs/dbraw/zinc/22/91/33/1007229133.db2.gz CJDFPJDXDGYVJF-HXUWFJFHSA-N 1 3 406.574 3.988 20 0 HHADHO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000535190784 1007237565 /nfs/dbraw/zinc/23/75/65/1007237565.db2.gz MRELRUGIXSHXEJ-UHFFFAOYSA-N 1 3 411.638 3.943 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061904 1007354462 /nfs/dbraw/zinc/35/44/62/1007354462.db2.gz PNULEWGOENUYLY-GNOCETLISA-N 1 3 417.500 3.528 20 0 HHADHO Cc1c([C@H](C)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072108 1007363191 /nfs/dbraw/zinc/36/31/91/1007363191.db2.gz CSJOSHKLMVLNPK-ZACQAIPSSA-N 1 3 405.974 3.769 20 0 HHADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539073759 1007365217 /nfs/dbraw/zinc/36/52/17/1007365217.db2.gz QNEFEICLYWVMCH-OAHLLOKOSA-N 1 3 402.608 3.891 20 0 HHADHO CN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000535338819 1007390397 /nfs/dbraw/zinc/39/03/97/1007390397.db2.gz DKRNSFOGQFAEBU-DNQXCXABSA-N 1 3 406.574 3.917 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039288 1007399462 /nfs/dbraw/zinc/39/94/62/1007399462.db2.gz FHWCCVJDJFSWTB-XMMPIXPASA-N 1 3 414.553 3.736 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039288 1007399477 /nfs/dbraw/zinc/39/94/77/1007399477.db2.gz FHWCCVJDJFSWTB-XMMPIXPASA-N 1 3 414.553 3.736 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535366297 1007424060 /nfs/dbraw/zinc/42/40/60/1007424060.db2.gz KBUOICXHIFAPEO-QLBRKBSLSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535366297 1007424068 /nfs/dbraw/zinc/42/40/68/1007424068.db2.gz KBUOICXHIFAPEO-QLBRKBSLSA-N 1 3 406.574 3.642 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509467 1007565035 /nfs/dbraw/zinc/56/50/35/1007565035.db2.gz VRKSAMRLYRYRFF-ACJLOTCBSA-N 1 3 400.792 3.705 20 0 HHADHO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CC1 ZINC000535774800 1007785636 /nfs/dbraw/zinc/78/56/36/1007785636.db2.gz DOZNCRRXKYLIRL-UHFFFAOYSA-N 1 3 421.589 3.776 20 0 HHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653464 1007866037 /nfs/dbraw/zinc/86/60/37/1007866037.db2.gz UYLAGFOJBAEKGY-UPVQGACJSA-N 1 3 420.601 3.541 20 0 HHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653464 1007866046 /nfs/dbraw/zinc/86/60/46/1007866046.db2.gz UYLAGFOJBAEKGY-UPVQGACJSA-N 1 3 420.601 3.541 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576612 1007892740 /nfs/dbraw/zinc/89/27/40/1007892740.db2.gz PLFDCUCPLRVQCQ-UXHICEINSA-N 1 3 411.512 3.874 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945944 1007978717 /nfs/dbraw/zinc/97/87/17/1007978717.db2.gz YRDIOCBJSANDHT-SFTDATJTSA-N 1 3 418.651 3.894 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536095644 1008118134 /nfs/dbraw/zinc/11/81/34/1008118134.db2.gz MWWPXYXJIVUHCX-BJKOFHAPSA-N 1 3 406.574 3.704 20 0 HHADHO CCN1CC[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518222431 1008211310 /nfs/dbraw/zinc/21/13/10/1008211310.db2.gz RKKYNRSBWIBDPW-FGZHOGPDSA-N 1 3 411.009 3.620 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000540044429 1008254106 /nfs/dbraw/zinc/25/41/06/1008254106.db2.gz CNTCSWOUMRUNHB-UHFFFAOYSA-N 1 3 421.010 3.993 20 0 HHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000540160851 1008316842 /nfs/dbraw/zinc/31/68/42/1008316842.db2.gz OXROFDGAQHBERK-CZEIZJIKSA-N 1 3 420.569 3.802 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000518459897 1008316796 /nfs/dbraw/zinc/31/67/96/1008316796.db2.gz JRHLZDNAEMGEPQ-UGKGYDQZSA-N 1 3 416.610 3.642 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000518459897 1008316802 /nfs/dbraw/zinc/31/68/02/1008316802.db2.gz JRHLZDNAEMGEPQ-UGKGYDQZSA-N 1 3 416.610 3.642 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(I)cc1 ZINC000540170653 1008320822 /nfs/dbraw/zinc/32/08/22/1008320822.db2.gz ITAXYVCEYPTCBY-BZUAXINKSA-N 1 3 416.347 3.831 20 0 HHADHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCCO2 ZINC000540172399 1008321701 /nfs/dbraw/zinc/32/17/01/1008321701.db2.gz CFLGLKITISUUDM-QHCPKHFHSA-N 1 3 407.558 3.824 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000518623356 1008369134 /nfs/dbraw/zinc/36/91/34/1008369134.db2.gz FPFQQNJDEXNDIA-TZIWHRDSSA-N 1 3 415.603 3.548 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)CC2)CC1 ZINC000519013747 1008501491 /nfs/dbraw/zinc/50/14/91/1008501491.db2.gz BPAFGHVMYSQWHN-UHFFFAOYSA-N 1 3 401.599 3.667 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000545457923 1008569475 /nfs/dbraw/zinc/56/94/75/1008569475.db2.gz KLKYLCWZHJGTTM-INIZCTEOSA-N 1 3 422.411 3.684 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000519498996 1008870206 /nfs/dbraw/zinc/87/02/06/1008870206.db2.gz LWPUPVFCRWZDGD-UHFFFAOYSA-N 1 3 414.516 3.653 20 0 HHADHO c1ccc(C[N@H+]2CCC[C@H](Nc3ccc4nc(CCN5CCOCC5)[nH]c4c3)C2)cc1 ZINC000543415915 1009008572 /nfs/dbraw/zinc/00/85/72/1009008572.db2.gz UFXGPHRVJFIQEG-QFIPXVFZSA-N 1 3 419.573 3.514 20 0 HHADHO c1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4nc(CCN5CCOCC5)[nH]c4c3)C2)cc1 ZINC000543415915 1009008587 /nfs/dbraw/zinc/00/85/87/1009008587.db2.gz UFXGPHRVJFIQEG-QFIPXVFZSA-N 1 3 419.573 3.514 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453470 1009043823 /nfs/dbraw/zinc/04/38/23/1009043823.db2.gz CKSUFZBWSHCMFO-RTWAWAEBSA-N 1 3 400.954 3.516 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453470 1009043838 /nfs/dbraw/zinc/04/38/38/1009043838.db2.gz CKSUFZBWSHCMFO-RTWAWAEBSA-N 1 3 400.954 3.516 20 0 HHADHO C[C@@H]1CCC[C@@](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130476 1009283646 /nfs/dbraw/zinc/28/36/46/1009283646.db2.gz HBYNKFXKCIUKKT-VGOFRKELSA-N 1 3 410.553 3.549 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000549762714 1009379029 /nfs/dbraw/zinc/37/90/29/1009379029.db2.gz DWTFTBBHROZITE-GOSISDBHSA-N 1 3 407.986 3.564 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000549762714 1009379042 /nfs/dbraw/zinc/37/90/42/1009379042.db2.gz DWTFTBBHROZITE-GOSISDBHSA-N 1 3 407.986 3.564 20 0 HHADHO CC1CC[NH+](CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000520702624 1009770267 /nfs/dbraw/zinc/77/02/67/1009770267.db2.gz BWAWFDZMJCAXCE-UHFFFAOYSA-N 1 3 407.002 3.583 20 0 HHADHO COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351030 1009976546 /nfs/dbraw/zinc/97/65/46/1009976546.db2.gz NIINLZMQEFOKCM-CJFMBICVSA-N 1 3 409.574 3.945 20 0 HHADHO COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351030 1009976553 /nfs/dbraw/zinc/97/65/53/1009976553.db2.gz NIINLZMQEFOKCM-CJFMBICVSA-N 1 3 409.574 3.945 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC000544486299 1010110366 /nfs/dbraw/zinc/11/03/66/1010110366.db2.gz FFKYBNSSVSTMPR-UHFFFAOYSA-N 1 3 408.590 3.510 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785192 1010174030 /nfs/dbraw/zinc/17/40/30/1010174030.db2.gz PPLSFDUXZZWWMU-DOTOQJQBSA-N 1 3 407.377 3.854 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785192 1010174039 /nfs/dbraw/zinc/17/40/39/1010174039.db2.gz PPLSFDUXZZWWMU-DOTOQJQBSA-N 1 3 407.377 3.854 20 0 HHADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250840 1010466184 /nfs/dbraw/zinc/46/61/84/1010466184.db2.gz VYGHDOGJGQTXHK-IPMKNSEASA-N 1 3 411.512 3.676 20 0 HHADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250840 1010466191 /nfs/dbraw/zinc/46/61/91/1010466191.db2.gz VYGHDOGJGQTXHK-IPMKNSEASA-N 1 3 411.512 3.676 20 0 HHADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250839 1010466456 /nfs/dbraw/zinc/46/64/56/1010466456.db2.gz VYGHDOGJGQTXHK-GUDVDZBRSA-N 1 3 411.512 3.676 20 0 HHADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C(F)(F)F)C1 ZINC000551250839 1010466465 /nfs/dbraw/zinc/46/64/65/1010466465.db2.gz VYGHDOGJGQTXHK-GUDVDZBRSA-N 1 3 411.512 3.676 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687078 1010550976 /nfs/dbraw/zinc/55/09/76/1010550976.db2.gz IOTGQUPQGKBPSA-SFHVURJKSA-N 1 3 410.553 3.550 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687078 1010550981 /nfs/dbraw/zinc/55/09/81/1010550981.db2.gz IOTGQUPQGKBPSA-SFHVURJKSA-N 1 3 410.553 3.550 20 0 HHADHO C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1[C@H](C)CC[C@H]1C ZINC000521797478 1010625912 /nfs/dbraw/zinc/62/59/12/1010625912.db2.gz UUTYCWNQDCIETQ-QRVBRYPASA-N 1 3 400.567 3.701 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522162359 1010841483 /nfs/dbraw/zinc/84/14/83/1010841483.db2.gz ZJOQVAJWBPCWFT-VWLOTQADSA-N 1 3 420.601 3.986 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155721 1011280324 /nfs/dbraw/zinc/28/03/24/1011280324.db2.gz OLEODYAIDUJFMG-OUJCMCIWSA-N 1 3 406.574 3.784 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155721 1011280336 /nfs/dbraw/zinc/28/03/36/1011280336.db2.gz OLEODYAIDUJFMG-OUJCMCIWSA-N 1 3 406.574 3.784 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522868459 1011310108 /nfs/dbraw/zinc/31/01/08/1011310108.db2.gz SXJWPFAAXUVVPF-RUZDIDTESA-N 1 3 420.601 3.986 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536192734 1011333600 /nfs/dbraw/zinc/33/36/00/1011333600.db2.gz OZOWKQNMQDGAFC-QTJGBDASSA-N 1 3 406.574 3.595 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536192734 1011333613 /nfs/dbraw/zinc/33/36/13/1011333613.db2.gz OZOWKQNMQDGAFC-QTJGBDASSA-N 1 3 406.574 3.595 20 0 HHADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536230679 1011379499 /nfs/dbraw/zinc/37/94/99/1011379499.db2.gz CUWURGLMIKVDJW-MOPGFXCFSA-N 1 3 414.516 3.738 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536231439 1011381129 /nfs/dbraw/zinc/38/11/29/1011381129.db2.gz GCGPJPXDNKJSDA-WXFUMESZSA-N 1 3 421.589 3.523 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536231439 1011381139 /nfs/dbraw/zinc/38/11/39/1011381139.db2.gz GCGPJPXDNKJSDA-WXFUMESZSA-N 1 3 421.589 3.523 20 0 HHADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000523219411 1011707438 /nfs/dbraw/zinc/70/74/38/1011707438.db2.gz XIWXWZZKPFIHLN-ZEQRLZLVSA-N 1 3 423.605 3.689 20 0 HHADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000523219411 1011707445 /nfs/dbraw/zinc/70/74/45/1011707445.db2.gz XIWXWZZKPFIHLN-ZEQRLZLVSA-N 1 3 423.605 3.689 20 0 HHADHO CC[NH+](CC)CCCC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000541090071 1011734507 /nfs/dbraw/zinc/73/45/07/1011734507.db2.gz RKBSOGMAWLSIGZ-UHFFFAOYSA-N 1 3 410.606 3.887 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523338721 1011816586 /nfs/dbraw/zinc/81/65/86/1011816586.db2.gz SCCXIEVVZHXLIR-XMMPIXPASA-N 1 3 406.574 3.596 20 0 HHADHO COc1cc2c(cc1CN(C)CCC1CC[NH+](C3CCN(C)CC3)CC1)O[C@H](C)C2 ZINC000536667085 1011820371 /nfs/dbraw/zinc/82/03/71/1011820371.db2.gz YSOJKLBPXFIOSC-LJQANCHMSA-N 1 3 415.622 3.647 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC(CCC[NH+](CC)CC)CC3)cc2)CC1 ZINC000541163690 1011829327 /nfs/dbraw/zinc/82/93/27/1011829327.db2.gz CVUBSYIPQOIBRM-UHFFFAOYSA-N 1 3 414.638 3.803 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC[C@H](c3noc(C4CC4)n3)C2)CC1 ZINC000536704105 1011875279 /nfs/dbraw/zinc/87/52/79/1011875279.db2.gz QGSZJJACWYIQOH-NRFANRHFSA-N 1 3 409.578 3.859 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552057906 1012075548 /nfs/dbraw/zinc/07/55/48/1012075548.db2.gz MJTPEAVEYGAADN-DHIUTWEWSA-N 1 3 408.030 3.736 20 0 HHADHO C[N@H+](CCOc1cccc(CN[C@@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542321 1012328001 /nfs/dbraw/zinc/32/80/01/1012328001.db2.gz RJOXAOXUCCPUQQ-HSZRJFAPSA-N 1 3 423.557 3.739 20 0 HHADHO C[N@@H+](CCOc1cccc(CN[C@@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542321 1012328014 /nfs/dbraw/zinc/32/80/14/1012328014.db2.gz RJOXAOXUCCPUQQ-HSZRJFAPSA-N 1 3 423.557 3.739 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000523732649 1012350234 /nfs/dbraw/zinc/35/02/34/1012350234.db2.gz PPJVELHZMQLFHY-UZLBHIALSA-N 1 3 423.395 3.952 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2cccs2)CC1 ZINC000541882374 1012751892 /nfs/dbraw/zinc/75/18/92/1012751892.db2.gz HTNBJIMANIEAPL-OLKYXYMISA-N 1 3 424.658 3.537 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2cccs2)CC1 ZINC000541882374 1012751900 /nfs/dbraw/zinc/75/19/00/1012751900.db2.gz HTNBJIMANIEAPL-OLKYXYMISA-N 1 3 424.658 3.537 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915049 1012773784 /nfs/dbraw/zinc/77/37/84/1012773784.db2.gz WDWZPEPKNKLPSQ-LAUBAEHRSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915049 1012773802 /nfs/dbraw/zinc/77/38/02/1012773802.db2.gz WDWZPEPKNKLPSQ-LAUBAEHRSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915050 1012773983 /nfs/dbraw/zinc/77/39/83/1012773983.db2.gz WDWZPEPKNKLPSQ-UTKZUKDTSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915050 1012774008 /nfs/dbraw/zinc/77/40/08/1012774008.db2.gz WDWZPEPKNKLPSQ-UTKZUKDTSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900005 1012900979 /nfs/dbraw/zinc/90/09/79/1012900979.db2.gz YBKVRDISSNJHFG-AQNXPRMDSA-N 1 3 422.635 3.943 20 0 HHADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000537444772 1012937513 /nfs/dbraw/zinc/93/75/13/1012937513.db2.gz LJGOPFIVCQYEBW-LPHOPBHVSA-N 1 3 402.608 3.862 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)CC1 ZINC000552971442 1012954319 /nfs/dbraw/zinc/95/43/19/1012954319.db2.gz XQFUIHAVWNXMMO-FQEVSTJZSA-N 1 3 405.583 3.675 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000586857399 1072478470 /nfs/dbraw/zinc/47/84/70/1072478470.db2.gz NLUFRSJTFYNHNS-HNNXBMFYSA-N 1 3 412.500 3.624 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000537673173 1072543507 /nfs/dbraw/zinc/54/35/07/1072543507.db2.gz DLBWABSCLDOSNI-IBGZPJMESA-N 1 3 412.622 3.699 20 0 HHADHO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168379382 1072664433 /nfs/dbraw/zinc/66/44/33/1072664433.db2.gz JGABNASJYUKYCR-DEOSSOPVSA-N 1 3 424.633 3.919 20 0 HHADHO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000760670679 1072696833 /nfs/dbraw/zinc/69/68/33/1072696833.db2.gz QVNUDUGVFSMKRI-QFIPXVFZSA-N 1 3 401.595 3.788 20 0 HHADHO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380469 1072707765 /nfs/dbraw/zinc/70/77/65/1072707765.db2.gz SWBAGZPKPCDILD-RPBOFIJWSA-N 1 3 413.606 3.652 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000479409598 1072831595 /nfs/dbraw/zinc/83/15/95/1072831595.db2.gz FVSOIMCXUAZCBY-OFNKIYASSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000479409598 1072831606 /nfs/dbraw/zinc/83/16/06/1072831606.db2.gz FVSOIMCXUAZCBY-OFNKIYASSA-N 1 3 400.611 3.975 20 0 HHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCCc3cc(Br)ccc32)ccn1 ZINC000479426547 1072840778 /nfs/dbraw/zinc/84/07/78/1072840778.db2.gz XLJMKDDGEILNOA-IBGZPJMESA-N 1 3 404.352 3.952 20 0 HHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCCc3cc(Br)ccc32)ccn1 ZINC000479426549 1072840868 /nfs/dbraw/zinc/84/08/68/1072840868.db2.gz XLJMKDDGEILNOA-LJQANCHMSA-N 1 3 404.352 3.952 20 0 HHADHO CCCCCOc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1OC ZINC000554882745 1072934154 /nfs/dbraw/zinc/93/41/54/1072934154.db2.gz OHGOTDQFCNBPOY-UHFFFAOYSA-N 1 3 403.611 3.724 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000588708718 1073154997 /nfs/dbraw/zinc/15/49/97/1073154997.db2.gz CZDIXZCFNFMBOA-IRXDYDNUSA-N 1 3 404.580 3.552 20 0 HHADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786181 1074004061 /nfs/dbraw/zinc/00/40/61/1074004061.db2.gz FRJPAMGTSXXEMW-QGZVFWFLSA-N 1 3 424.427 3.848 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786181 1074004068 /nfs/dbraw/zinc/00/40/68/1074004068.db2.gz FRJPAMGTSXXEMW-QGZVFWFLSA-N 1 3 424.427 3.848 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542080 1074377439 /nfs/dbraw/zinc/37/74/39/1074377439.db2.gz VMYIKPOHVYOFSA-VQTJNVASSA-N 1 3 404.624 3.791 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000593500472 1075205034 /nfs/dbraw/zinc/20/50/34/1075205034.db2.gz QHEBZBWXPVAJFQ-QHCPKHFHSA-N 1 3 410.562 3.976 20 0 HHADHO CN(Cc1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1)C1CC1 ZINC001164795910 721501240 /nfs/dbraw/zinc/50/12/40/721501240.db2.gz MUFUYAMGPGUJFY-UHFFFAOYSA-N 1 3 405.590 3.952 20 0 HHADHO CN(Cc1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1)C1CC1 ZINC001164795910 721501245 /nfs/dbraw/zinc/50/12/45/721501245.db2.gz MUFUYAMGPGUJFY-UHFFFAOYSA-N 1 3 405.590 3.952 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165023263 721821799 /nfs/dbraw/zinc/82/17/99/721821799.db2.gz ILVJZIUBJHOFLR-NBHGPNQESA-N 1 3 411.981 3.513 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165023263 721821801 /nfs/dbraw/zinc/82/18/01/721821801.db2.gz ILVJZIUBJHOFLR-NBHGPNQESA-N 1 3 411.981 3.513 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489755 971788109 /nfs/dbraw/zinc/78/81/09/971788109.db2.gz RXRUYQBJRURVML-NHYNNZIHSA-N 1 3 406.574 3.784 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489755 971788112 /nfs/dbraw/zinc/78/81/12/971788112.db2.gz RXRUYQBJRURVML-NHYNNZIHSA-N 1 3 406.574 3.784 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000524302772 1013116094 /nfs/dbraw/zinc/11/60/94/1013116094.db2.gz NNVFGKWEEPOWKD-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000524302773 1013116410 /nfs/dbraw/zinc/11/64/10/1013116410.db2.gz NNVFGKWEEPOWKD-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000553211555 1013174619 /nfs/dbraw/zinc/17/46/19/1013174619.db2.gz WHPWMSWDESZXBW-UHFFFAOYSA-N 1 3 401.639 3.858 20 0 HHADHO CCCOc1ccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c(C)c1 ZINC000553221486 1013188592 /nfs/dbraw/zinc/18/85/92/1013188592.db2.gz DYAVZOJTLDOIDK-UHFFFAOYSA-N 1 3 401.595 3.596 20 0 HHADHO O=C(CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000553253589 1013220845 /nfs/dbraw/zinc/22/08/45/1013220845.db2.gz RYNJXUIYAOQASB-QHCPKHFHSA-N 1 3 411.977 3.956 20 0 HHADHO C[NH+]1CCN(Cc2ccc(CN[C@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000542476989 1013424585 /nfs/dbraw/zinc/42/45/85/1013424585.db2.gz ARVCUDPQFGGWMN-RUZDIDTESA-N 1 3 404.533 3.847 20 0 HHADHO Cc1ccc(C[C@@H]2CCCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000051761050 964690143 /nfs/dbraw/zinc/69/01/43/964690143.db2.gz GZTMHOZJJJTRMW-QFIPXVFZSA-N 1 3 412.622 3.518 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)CC2)CC1 ZINC000051777746 964695234 /nfs/dbraw/zinc/69/52/34/964695234.db2.gz GFRKMAXUTWFZRM-LJQANCHMSA-N 1 3 412.500 3.538 20 0 HHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959357 1013538777 /nfs/dbraw/zinc/53/87/77/1013538777.db2.gz DAEYYKAJIGMUEL-XUVXKRRUSA-N 1 3 411.359 3.933 20 0 HHADHO Cc1c([C@@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969024 1013545649 /nfs/dbraw/zinc/54/56/49/1013545649.db2.gz IQOAYOLLSNPHOK-IXDOHACOSA-N 1 3 405.974 3.769 20 0 HHADHO Cc1c([C@@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969024 1013545657 /nfs/dbraw/zinc/54/56/57/1013545657.db2.gz IQOAYOLLSNPHOK-IXDOHACOSA-N 1 3 405.974 3.769 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989289 1013563133 /nfs/dbraw/zinc/56/31/33/1013563133.db2.gz ALZXJSBTDDDEFU-SQJMNOBHSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989289 1013563138 /nfs/dbraw/zinc/56/31/38/1013563138.db2.gz ALZXJSBTDDDEFU-SQJMNOBHSA-N 1 3 401.554 3.897 20 0 HHADHO C[NH+]1CCN(c2ccc(CNCc3ccc(-c4nc5ccccc5s4)o3)cn2)CC1 ZINC000030661100 965758474 /nfs/dbraw/zinc/75/84/74/965758474.db2.gz UYNTYVOHGPMMMP-UHFFFAOYSA-N 1 3 419.554 3.993 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056813603 966477175 /nfs/dbraw/zinc/47/71/75/966477175.db2.gz ATCUKGPKEPNMIX-UHFFFAOYSA-N 1 3 412.553 3.695 20 0 HHADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000061791635 966555560 /nfs/dbraw/zinc/55/55/60/966555560.db2.gz NNKBOAAEUUCJMQ-UHFFFAOYSA-N 1 3 404.624 3.616 20 0 HHADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000061791635 966555568 /nfs/dbraw/zinc/55/55/68/966555568.db2.gz NNKBOAAEUUCJMQ-UHFFFAOYSA-N 1 3 404.624 3.616 20 0 HHADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000062500072 966692526 /nfs/dbraw/zinc/69/25/26/966692526.db2.gz CXIIOBMHVRAGPF-UHFFFAOYSA-N 1 3 402.970 3.545 20 0 HHADHO CC(C)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000063407507 966846642 /nfs/dbraw/zinc/84/66/42/966846642.db2.gz XCYKIYPNHHWWNT-UHFFFAOYSA-N 1 3 412.622 3.777 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848720 1013707736 /nfs/dbraw/zinc/70/77/36/1013707736.db2.gz AYGYBKIWHFLYSD-CYFREDJKSA-N 1 3 407.558 3.621 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848720 1013707742 /nfs/dbraw/zinc/70/77/42/1013707742.db2.gz AYGYBKIWHFLYSD-CYFREDJKSA-N 1 3 407.558 3.621 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000045976454 967614087 /nfs/dbraw/zinc/61/40/87/967614087.db2.gz PLJJBJKULWEYOQ-HXUWFJFHSA-N 1 3 415.626 3.771 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000045976454 967614092 /nfs/dbraw/zinc/61/40/92/967614092.db2.gz PLJJBJKULWEYOQ-HXUWFJFHSA-N 1 3 415.626 3.771 20 0 HHADHO CC[NH+](CC)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000554030466 1013764277 /nfs/dbraw/zinc/76/42/77/1013764277.db2.gz GWUWITLHAPATEN-MRXNPFEDSA-N 1 3 415.651 3.995 20 0 HHADHO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000554110986 1013802390 /nfs/dbraw/zinc/80/23/90/1013802390.db2.gz WUOFUQLPNIWOCW-UHFFFAOYSA-N 1 3 415.626 3.867 20 0 HHADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065938391 968728075 /nfs/dbraw/zinc/72/80/75/968728075.db2.gz CQWVFKDGYRPIFR-UHFFFAOYSA-N 1 3 401.501 3.765 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626736 969049158 /nfs/dbraw/zinc/04/91/58/969049158.db2.gz BLMYSAOCTZYVNX-OAQYLSRUSA-N 1 3 424.564 3.818 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626736 969049163 /nfs/dbraw/zinc/04/91/63/969049163.db2.gz BLMYSAOCTZYVNX-OAQYLSRUSA-N 1 3 424.564 3.818 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000109899821 969590191 /nfs/dbraw/zinc/59/01/91/969590191.db2.gz CENCLGBAAQTCNH-UHFFFAOYSA-N 1 3 400.611 3.554 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000109899821 969590199 /nfs/dbraw/zinc/59/01/99/969590199.db2.gz CENCLGBAAQTCNH-UHFFFAOYSA-N 1 3 400.611 3.554 20 0 HHADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110798232 969724736 /nfs/dbraw/zinc/72/47/36/969724736.db2.gz LUBUYOLPYIHKPW-LJQANCHMSA-N 1 3 411.615 3.865 20 0 HHADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110798232 969724750 /nfs/dbraw/zinc/72/47/50/969724750.db2.gz LUBUYOLPYIHKPW-LJQANCHMSA-N 1 3 411.615 3.865 20 0 HHADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000138840576 970012313 /nfs/dbraw/zinc/01/23/13/970012313.db2.gz IFUAOTPNPZZBNQ-UHFFFAOYSA-N 1 3 414.516 3.651 20 0 HHADHO CN(C)Cc1cccc(NC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000139488716 970033499 /nfs/dbraw/zinc/03/34/99/970033499.db2.gz WVXWXONWVZVABW-UHFFFAOYSA-N 1 3 407.562 3.924 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C[NH+]1CCCCC1 ZINC000139921774 970053801 /nfs/dbraw/zinc/05/38/01/970053801.db2.gz MSJXRMYDWBXZTK-IBGZPJMESA-N 1 3 404.624 3.521 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3Cc3ccccc3)CC2)CC1 ZINC000215979059 970058832 /nfs/dbraw/zinc/05/88/32/970058832.db2.gz AYMKGIGLDMYCRZ-UHFFFAOYSA-N 1 3 406.574 3.958 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000236848947 970179784 /nfs/dbraw/zinc/17/97/84/970179784.db2.gz FRZHADXYOUSDIQ-FQEVSTJZSA-N 1 3 421.564 3.794 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)(N2CCCCC2)CC1 ZINC000303970503 972558122 /nfs/dbraw/zinc/55/81/22/972558122.db2.gz SHXNUNAVZLSZTC-SJORKVTESA-N 1 3 407.961 3.649 20 0 HHADHO Cc1cc(Br)ccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397610189 972873270 /nfs/dbraw/zinc/87/32/70/972873270.db2.gz ZBCOCZXJKGNLLZ-UHFFFAOYSA-N 1 3 403.364 3.874 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000398164276 972877229 /nfs/dbraw/zinc/87/72/29/972877229.db2.gz SRXLERZEWMWTEX-MAODMQOUSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000398164276 972877242 /nfs/dbraw/zinc/87/72/42/972877242.db2.gz SRXLERZEWMWTEX-MAODMQOUSA-N 1 3 403.364 3.983 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000410381831 973980323 /nfs/dbraw/zinc/98/03/23/973980323.db2.gz KZDIXQJRTVYUBI-XMMPIXPASA-N 1 3 408.590 3.991 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000410381831 973980328 /nfs/dbraw/zinc/98/03/28/973980328.db2.gz KZDIXQJRTVYUBI-XMMPIXPASA-N 1 3 408.590 3.991 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000428921917 976222093 /nfs/dbraw/zinc/22/20/93/976222093.db2.gz ONFOYINVWIBYKE-YPAWHYETSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000428921917 976222100 /nfs/dbraw/zinc/22/21/00/976222100.db2.gz ONFOYINVWIBYKE-YPAWHYETSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000429068008 976353758 /nfs/dbraw/zinc/35/37/58/976353758.db2.gz BHTAPUNCWHYUDQ-YOSAUDMPSA-N 1 3 421.589 3.742 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000429068008 976353771 /nfs/dbraw/zinc/35/37/71/976353771.db2.gz BHTAPUNCWHYUDQ-YOSAUDMPSA-N 1 3 421.589 3.742 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079313 976364194 /nfs/dbraw/zinc/36/41/94/976364194.db2.gz AGZYRCAIKPQHBB-URXFXBBRSA-N 1 3 405.586 3.925 20 0 HHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCSC2(CCCCC2)C1 ZINC000430758650 977734641 /nfs/dbraw/zinc/73/46/41/977734641.db2.gz BAQRLWDXRAHZKY-FQEVSTJZSA-N 1 3 415.647 3.907 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000431642940 978402929 /nfs/dbraw/zinc/40/29/29/978402929.db2.gz JPOSVCPRFLQAFG-UHFFFAOYSA-N 1 3 406.590 3.657 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000431646510 978406055 /nfs/dbraw/zinc/40/60/55/978406055.db2.gz DCRBZVSJLFXGMS-UHFFFAOYSA-N 1 3 406.590 3.657 20 0 HHADHO CCC1(CO)CCN(Cc2cc(C[NH+]3CCC(CC)(CO)CC3)cc(OC)c2)CC1 ZINC000432776182 978971285 /nfs/dbraw/zinc/97/12/85/978971285.db2.gz ZINHYYSOKHBYQQ-UHFFFAOYSA-N 1 3 418.622 3.664 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000432835932 978987855 /nfs/dbraw/zinc/98/78/55/978987855.db2.gz KFXTUMYQCFGJES-OFVILXPXSA-N 1 3 405.586 3.954 20 0 HHADHO CC(=O)c1cccc(OC[C@@H](O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433125928 979086490 /nfs/dbraw/zinc/08/64/90/979086490.db2.gz AOCAPWMPOZLDCS-DEOSSOPVSA-N 1 3 422.569 3.617 20 0 HHADHO FC(F)(F)c1cnc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000433331327 979242463 /nfs/dbraw/zinc/24/24/63/979242463.db2.gz LUWGEYTWSGMGFF-UHFFFAOYSA-N 1 3 412.525 3.850 20 0 HHADHO Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435527169 980921033 /nfs/dbraw/zinc/92/10/33/980921033.db2.gz KUKNVGGZCLIQJV-QFIPXVFZSA-N 1 3 424.593 3.633 20 0 HHADHO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435529315 980923616 /nfs/dbraw/zinc/92/36/16/980923616.db2.gz REHXLUIXCROLAO-RBBKRZOGSA-N 1 3 424.593 3.634 20 0 HHADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435532016 980924765 /nfs/dbraw/zinc/92/47/65/980924765.db2.gz CVYSDTRZCMBWEA-FCHUYYIVSA-N 1 3 424.593 3.587 20 0 HHADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435532016 980924767 /nfs/dbraw/zinc/92/47/67/980924767.db2.gz CVYSDTRZCMBWEA-FCHUYYIVSA-N 1 3 424.593 3.587 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000436245650 981267199 /nfs/dbraw/zinc/26/71/99/981267199.db2.gz NHGVOWNFLGDDOZ-UHFFFAOYSA-N 1 3 413.871 3.940 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000436399227 981348520 /nfs/dbraw/zinc/34/85/20/981348520.db2.gz ILKRJISRIIJDQO-FPOVZHCZSA-N 1 3 413.528 3.792 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473739 981815329 /nfs/dbraw/zinc/81/53/29/981815329.db2.gz SZEASBLMIRMEOI-PKTZIBPZSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473739 981815342 /nfs/dbraw/zinc/81/53/42/981815342.db2.gz SZEASBLMIRMEOI-PKTZIBPZSA-N 1 3 400.611 3.660 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)(N2CCCCC2)CC1 ZINC000460504799 982293384 /nfs/dbraw/zinc/29/33/84/982293384.db2.gz QATLEWHUTDGZLC-OALUTQOASA-N 1 3 423.523 3.875 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)(N2CCCCC2)CC1 ZINC000460504800 982293580 /nfs/dbraw/zinc/29/35/80/982293580.db2.gz QATLEWHUTDGZLC-RBUKOAKNSA-N 1 3 423.523 3.875 20 0 HHADHO CCOC(=O)Cn1nc(C)c(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000438117579 982596293 /nfs/dbraw/zinc/59/62/93/982596293.db2.gz OXAQTYOXVJBGME-SFHVURJKSA-N 1 3 404.599 3.540 20 0 HHADHO CCOC(=O)Cn1nc(C)c(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000438117579 982596297 /nfs/dbraw/zinc/59/62/97/982596297.db2.gz OXAQTYOXVJBGME-SFHVURJKSA-N 1 3 404.599 3.540 20 0 HHADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000460961730 982692842 /nfs/dbraw/zinc/69/28/42/982692842.db2.gz WLEILSSWTLLOOZ-NRFANRHFSA-N 1 3 415.626 3.905 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000438961670 983180157 /nfs/dbraw/zinc/18/01/57/983180157.db2.gz BERBYTRYHRVGKM-HXUWFJFHSA-N 1 3 423.605 3.948 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977049 983191050 /nfs/dbraw/zinc/19/10/50/983191050.db2.gz SENSRXLBPBHSOY-YKSBVNFPSA-N 1 3 421.589 3.743 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@]4(CCCc5ccccc54)C3)CC2)CC1 ZINC000440164965 983666745 /nfs/dbraw/zinc/66/67/45/983666745.db2.gz QKYOSVKUKODXQG-AREMUKBSSA-N 1 3 424.633 3.625 20 0 HHADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000440175742 983670271 /nfs/dbraw/zinc/67/02/71/983670271.db2.gz QDAWELMAPCIALX-HSZRJFAPSA-N 1 3 400.611 3.803 20 0 HHADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000440175742 983670276 /nfs/dbraw/zinc/67/02/76/983670276.db2.gz QDAWELMAPCIALX-HSZRJFAPSA-N 1 3 400.611 3.803 20 0 HHADHO COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1C ZINC000462009551 984988506 /nfs/dbraw/zinc/98/85/06/984988506.db2.gz WFCKNAHRLQRNNB-UHFFFAOYSA-N 1 3 424.589 3.505 20 0 HHADHO CC[NH+](CC)Cc1cccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000462033367 985010199 /nfs/dbraw/zinc/01/01/99/985010199.db2.gz SNRUEBBLTAJEDU-UHFFFAOYSA-N 1 3 408.590 3.988 20 0 HHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000442864748 985250554 /nfs/dbraw/zinc/25/05/54/985250554.db2.gz AMKSELGLIGXTSV-FQEVSTJZSA-N 1 3 421.589 3.590 20 0 HHADHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1(C)C ZINC000442872196 985253490 /nfs/dbraw/zinc/25/34/90/985253490.db2.gz HPHWDCPKENXSPC-QGZVFWFLSA-N 1 3 400.792 3.705 20 0 HHADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CCC3)cc1 ZINC000442874502 985254732 /nfs/dbraw/zinc/25/47/32/985254732.db2.gz QQEJRDRAXUIPLG-LJQANCHMSA-N 1 3 414.619 3.812 20 0 HHADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)CCC3)cc1 ZINC000442874498 985254848 /nfs/dbraw/zinc/25/48/48/985254848.db2.gz QQEJRDRAXUIPLG-IBGZPJMESA-N 1 3 414.619 3.812 20 0 HHADHO Cc1ccc(NC2CCN(CCC(F)(F)F)CC2)cc1NC(=O)CC[NH+](C)C ZINC000468043417 985701091 /nfs/dbraw/zinc/70/10/91/985701091.db2.gz VMCWIZYKLNHMDH-UHFFFAOYSA-N 1 3 400.489 3.714 20 0 HHADHO O=C(CN1CCC(CCC[NH+]2CCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000443588212 985764829 /nfs/dbraw/zinc/76/48/29/985764829.db2.gz HVVZFEACVNKZIG-UHFFFAOYSA-N 1 3 408.590 3.641 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000443697097 985910141 /nfs/dbraw/zinc/91/01/41/985910141.db2.gz ICSJZHRJHWHMQI-MRXNPFEDSA-N 1 3 416.532 3.755 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463008318 985961591 /nfs/dbraw/zinc/96/15/91/985961591.db2.gz GRMSLWYFZDXLKE-HYBUGGRVSA-N 1 3 408.590 3.800 20 0 HHADHO Cc1ccc([C@H](CNC2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)cc1 ZINC000463073119 986030258 /nfs/dbraw/zinc/03/02/58/986030258.db2.gz GWTLQCYCIZNGGX-SANMLTNESA-N 1 3 407.602 3.665 20 0 HHADHO c1ccc(CN2CCO[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000463296741 986264416 /nfs/dbraw/zinc/26/44/16/986264416.db2.gz GGXINKXOSITPMG-SBZWWDHJSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(CN2CCO[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000463296741 986264430 /nfs/dbraw/zinc/26/44/30/986264430.db2.gz GGXINKXOSITPMG-SBZWWDHJSA-N 1 3 405.586 3.673 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000468580475 986286772 /nfs/dbraw/zinc/28/67/72/986286772.db2.gz UQQHGCYRKOIONR-UHFFFAOYSA-N 1 3 422.617 3.665 20 0 HHADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444460378 986642775 /nfs/dbraw/zinc/64/27/75/986642775.db2.gz KDOKAYMFWZKBQT-UHFFFAOYSA-N 1 3 407.514 3.703 20 0 HHADHO COc1ccc(Cn2nc(C)c(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)c2C)cc1 ZINC000463736364 986722927 /nfs/dbraw/zinc/72/29/27/986722927.db2.gz OJIGXFFXECYXCC-RTBURBONSA-N 1 3 414.594 3.536 20 0 HHADHO Cc1cc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Br ZINC000444893240 987041616 /nfs/dbraw/zinc/04/16/16/987041616.db2.gz FDCQZLXJEDPECY-UHFFFAOYSA-N 1 3 423.399 3.746 20 0 HHADHO CCCc1c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cnn1-c1ccccc1 ZINC000444937791 987081372 /nfs/dbraw/zinc/08/13/72/987081372.db2.gz RZXWMHMHNHHJEM-UHFFFAOYSA-N 1 3 424.593 3.505 20 0 HHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000469494748 987174258 /nfs/dbraw/zinc/17/42/58/987174258.db2.gz XHSVMFCQWKVRTA-UHFFFAOYSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000469756255 987408963 /nfs/dbraw/zinc/40/89/63/987408963.db2.gz GBHBJCHFDFULLM-PEJASQCSSA-N 1 3 405.586 3.926 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000469759305 987412787 /nfs/dbraw/zinc/41/27/87/987412787.db2.gz XZOSCLLMCVECPY-ZHALLVOQSA-N 1 3 411.512 3.534 20 0 HHADHO CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469759838 987413470 /nfs/dbraw/zinc/41/34/70/987413470.db2.gz DSUMRNVMPVBTPA-ACWUQQCTSA-N 1 3 423.601 3.790 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000469776599 987425805 /nfs/dbraw/zinc/42/58/05/987425805.db2.gz RKZMKZMICUUWJW-NHCUHLMSSA-N 1 3 415.622 3.588 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000469776600 987425930 /nfs/dbraw/zinc/42/59/30/987425930.db2.gz RKZMKZMICUUWJW-SFTDATJTSA-N 1 3 415.622 3.588 20 0 HHADHO CCN1CCN(c2ccc(C(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)cc2)CC1 ZINC000469838207 987472840 /nfs/dbraw/zinc/47/28/40/987472840.db2.gz JHWQQSBCZVLIHD-UHFFFAOYSA-N 1 3 419.573 3.597 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccccc3)c3cccc(F)c3)CC2)CC1 ZINC000445521265 987577022 /nfs/dbraw/zinc/57/70/22/987577022.db2.gz WPHYAVMSDWYDOQ-XMMPIXPASA-N 1 3 424.564 3.773 20 0 HHADHO C[NH+]1CCC(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc32)(N2CCCCC2)CC1 ZINC000464003941 988114510 /nfs/dbraw/zinc/11/45/10/988114510.db2.gz YPUUNPFWLWFSMN-UHFFFAOYSA-N 1 3 424.564 3.931 20 0 HHADHO CC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000470721998 988747766 /nfs/dbraw/zinc/74/77/66/988747766.db2.gz FBBGGWJIURTQAL-RDPSFJRHSA-N 1 3 412.622 3.770 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753553 988795579 /nfs/dbraw/zinc/79/55/79/988795579.db2.gz FHYVVMZHKKIDFX-NHCUHLMSSA-N 1 3 418.651 3.894 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753553 988795586 /nfs/dbraw/zinc/79/55/86/988795586.db2.gz FHYVVMZHKKIDFX-NHCUHLMSSA-N 1 3 418.651 3.894 20 0 HHADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464670417 988867621 /nfs/dbraw/zinc/86/76/21/988867621.db2.gz MNAKUFGULQQFHJ-TZIWHRDSSA-N 1 3 411.512 3.631 20 0 HHADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464670416 988868204 /nfs/dbraw/zinc/86/82/04/988868204.db2.gz MNAKUFGULQQFHJ-PZJWPPBQSA-N 1 3 411.512 3.631 20 0 HHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000465457589 989797512 /nfs/dbraw/zinc/79/75/12/989797512.db2.gz XCYXDKICLUCPHI-UPVQGACJSA-N 1 3 408.590 3.843 20 0 HHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000465457589 989797515 /nfs/dbraw/zinc/79/75/15/989797515.db2.gz XCYXDKICLUCPHI-UPVQGACJSA-N 1 3 408.590 3.843 20 0 HHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603881 989808002 /nfs/dbraw/zinc/80/80/02/989808002.db2.gz VJWZAPFYUQHIKB-DSNGMDLFSA-N 1 3 418.585 3.597 20 0 HHADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603881 989808019 /nfs/dbraw/zinc/80/80/19/989808019.db2.gz VJWZAPFYUQHIKB-DSNGMDLFSA-N 1 3 418.585 3.597 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727260 990112400 /nfs/dbraw/zinc/11/24/00/990112400.db2.gz OYXYQOCJJPHJNB-WOJBJXKFSA-N 1 3 424.511 3.744 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727258 990112442 /nfs/dbraw/zinc/11/24/42/990112442.db2.gz OYXYQOCJJPHJNB-UXHICEINSA-N 1 3 424.511 3.744 20 0 HHADHO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465804932 990187135 /nfs/dbraw/zinc/18/71/35/990187135.db2.gz BMZVLRYCNUMYPY-HSZRJFAPSA-N 1 3 418.601 3.593 20 0 HHADHO C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000465952537 991091630 /nfs/dbraw/zinc/09/16/30/991091630.db2.gz KSXOBXWWAKQCJD-QFIPXVFZSA-N 1 3 400.611 3.949 20 0 HHADHO C[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000467418183 992720050 /nfs/dbraw/zinc/72/00/50/992720050.db2.gz MYIBWHGHGBEOHK-GOSISDBHSA-N 1 3 417.981 3.968 20 0 HHADHO Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468096 992760356 /nfs/dbraw/zinc/76/03/56/992760356.db2.gz QLLLDIWHNRNYLF-TZIWHRDSSA-N 1 3 410.562 3.720 20 0 HHADHO CN1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000472306125 993318189 /nfs/dbraw/zinc/31/81/89/993318189.db2.gz PJDRTUGOZDQTCH-PKTZIBPZSA-N 1 3 424.614 3.845 20 0 HHADHO CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472387002 993382324 /nfs/dbraw/zinc/38/23/24/993382324.db2.gz XKWFYEAFDDNVSO-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472387002 993382332 /nfs/dbraw/zinc/38/23/32/993382332.db2.gz XKWFYEAFDDNVSO-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(CCC[NH+](CC)CC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472464787 993467320 /nfs/dbraw/zinc/46/73/20/993467320.db2.gz SVAQIMHAUJHTHT-UHFFFAOYSA-N 1 3 406.537 3.555 20 0 HHADHO CC(C)[NH+](CCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)C ZINC000472759246 993696960 /nfs/dbraw/zinc/69/69/60/993696960.db2.gz ZQUPDSVYBQEUKZ-UHFFFAOYSA-N 1 3 406.640 3.908 20 0 HHADHO COc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC000481195826 994029241 /nfs/dbraw/zinc/02/92/41/994029241.db2.gz YAWLRPKAGXIOAZ-OXJNMPFZSA-N 1 3 401.938 3.787 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)c2)CC1 ZINC000473835715 994768359 /nfs/dbraw/zinc/76/83/59/994768359.db2.gz LDBVFLXUYVLNGQ-UHFFFAOYSA-N 1 3 413.610 3.558 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932187 994804466 /nfs/dbraw/zinc/80/44/66/994804466.db2.gz MQLKSSSQIVLDII-IHPCNDPISA-N 1 3 410.002 3.654 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932187 994804480 /nfs/dbraw/zinc/80/44/80/994804480.db2.gz MQLKSSSQIVLDII-IHPCNDPISA-N 1 3 410.002 3.654 20 0 HHADHO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102773 995049018 /nfs/dbraw/zinc/04/90/18/995049018.db2.gz LLLRBDQSGORTHW-UBFVSLLYSA-N 1 3 419.569 3.754 20 0 HHADHO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102773 995049028 /nfs/dbraw/zinc/04/90/28/995049028.db2.gz LLLRBDQSGORTHW-UBFVSLLYSA-N 1 3 419.569 3.754 20 0 HHADHO COc1cccc2c1CC[C@H]2NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000482259859 995238331 /nfs/dbraw/zinc/23/83/31/995238331.db2.gz HLGAVRHRAZDWES-XMMPIXPASA-N 1 3 410.558 3.962 20 0 HHADHO COc1cccc2c1CC[C@H]2NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000482259859 995238341 /nfs/dbraw/zinc/23/83/41/995238341.db2.gz HLGAVRHRAZDWES-XMMPIXPASA-N 1 3 410.558 3.962 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482543886 995551961 /nfs/dbraw/zinc/55/19/61/995551961.db2.gz MXDHLOJAFXHWPC-OAQYLSRUSA-N 1 3 411.638 3.592 20 0 HHADHO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482554790 995562221 /nfs/dbraw/zinc/56/22/21/995562221.db2.gz QFSHAOINOKVZDY-IFMALSPDSA-N 1 3 409.574 3.812 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000482562620 995569255 /nfs/dbraw/zinc/56/92/55/995569255.db2.gz XNRIWCIXWDXHOM-IBGZPJMESA-N 1 3 407.558 3.621 20 0 HHADHO Cn1cc(-c2ncc(CNCCCC[NH+]3CCC(Cc4ccccc4)CC3)cn2)cn1 ZINC000474712570 995651426 /nfs/dbraw/zinc/65/14/26/995651426.db2.gz NLORSSDECTYNAH-UHFFFAOYSA-N 1 3 418.589 3.702 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474732773 995666628 /nfs/dbraw/zinc/66/66/28/995666628.db2.gz DDJICTKWSJAZCI-CQSZACIVSA-N 1 3 422.333 3.831 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878566 995812003 /nfs/dbraw/zinc/81/20/03/995812003.db2.gz UZQAYKPECRAALW-NSHGMRRFSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878566 995812010 /nfs/dbraw/zinc/81/20/10/995812010.db2.gz UZQAYKPECRAALW-NSHGMRRFSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878563 995812256 /nfs/dbraw/zinc/81/22/56/995812256.db2.gz UZQAYKPECRAALW-BJLQDIEVSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000482878563 995812265 /nfs/dbraw/zinc/81/22/65/995812265.db2.gz UZQAYKPECRAALW-BJLQDIEVSA-N 1 3 424.427 3.754 20 0 HHADHO CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475003583 995860193 /nfs/dbraw/zinc/86/01/93/995860193.db2.gz PEBFTSGLXHADFR-QFIPXVFZSA-N 1 3 424.593 3.587 20 0 HHADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015813 995872066 /nfs/dbraw/zinc/87/20/66/995872066.db2.gz KLLJINOZIUAJMS-SFTDATJTSA-N 1 3 412.603 3.801 20 0 HHADHO CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015813 995872072 /nfs/dbraw/zinc/87/20/72/995872072.db2.gz KLLJINOZIUAJMS-SFTDATJTSA-N 1 3 412.603 3.801 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475145260 995953170 /nfs/dbraw/zinc/95/31/70/995953170.db2.gz KMPYXRYGGZWBIX-XJUOHMSHSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475145260 995953174 /nfs/dbraw/zinc/95/31/74/995953174.db2.gz KMPYXRYGGZWBIX-XJUOHMSHSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475175794 995973017 /nfs/dbraw/zinc/97/30/17/995973017.db2.gz RTNSJARQKBBXEC-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475175794 995973025 /nfs/dbraw/zinc/97/30/25/995973025.db2.gz RTNSJARQKBBXEC-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487169 996212548 /nfs/dbraw/zinc/21/25/48/996212548.db2.gz AQPUNABPFBMSTO-BFLUCZKCSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487169 996212553 /nfs/dbraw/zinc/21/25/53/996212553.db2.gz AQPUNABPFBMSTO-BFLUCZKCSA-N 1 3 424.585 3.559 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475555279 996216989 /nfs/dbraw/zinc/21/69/89/996216989.db2.gz QEOXKEZJRAMMJM-QHCPKHFHSA-N 1 3 409.574 3.754 20 0 HHADHO CC(C)[C@](C)(NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000484338901 996712927 /nfs/dbraw/zinc/71/29/27/996712927.db2.gz JMXLXNYPKBWHCH-NRFANRHFSA-N 1 3 422.411 3.653 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000476871370 997447842 /nfs/dbraw/zinc/44/78/42/997447842.db2.gz DDGXYIOIMSQKNG-HYBUGGRVSA-N 1 3 406.574 3.745 20 0 HHADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN(C2CCCCC2)CC1 ZINC000485492169 997943983 /nfs/dbraw/zinc/94/39/83/997943983.db2.gz LMZNNNBTBYUEKR-LJQANCHMSA-N 1 3 404.624 3.620 20 0 HHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN(C2CCCCC2)CC1 ZINC000485492169 997943995 /nfs/dbraw/zinc/94/39/95/997943995.db2.gz LMZNNNBTBYUEKR-LJQANCHMSA-N 1 3 404.624 3.620 20 0 HHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000477278732 997958230 /nfs/dbraw/zinc/95/82/30/997958230.db2.gz OYPVKEBJONRMCO-IBGZPJMESA-N 1 3 404.599 3.786 20 0 HHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000477278732 997958240 /nfs/dbraw/zinc/95/82/40/997958240.db2.gz OYPVKEBJONRMCO-IBGZPJMESA-N 1 3 404.599 3.786 20 0 HHADHO COCc1cccc(OCC2(C[NH+]3CCC(CN4C[C@@H](C)O[C@H](C)C4)CC3)CC2)c1 ZINC000477369819 998056764 /nfs/dbraw/zinc/05/67/64/998056764.db2.gz YBCZYCREDOLYEV-NHCUHLMSSA-N 1 3 416.606 3.813 20 0 HHADHO COCc1cccc(OCC2(C[NH+]3CCC(CN4C[C@H](C)O[C@@H](C)C4)CC3)CC2)c1 ZINC000477369821 998056790 /nfs/dbraw/zinc/05/67/90/998056790.db2.gz YBCZYCREDOLYEV-SFTDATJTSA-N 1 3 416.606 3.813 20 0 HHADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486089417 998536643 /nfs/dbraw/zinc/53/66/43/998536643.db2.gz LNWPBGGRRKXWFG-RUZDIDTESA-N 1 3 421.585 3.693 20 0 HHADHO C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000477869084 998618934 /nfs/dbraw/zinc/61/89/34/998618934.db2.gz XBQKYXGTODGPDN-GOSISDBHSA-N 1 3 415.603 3.645 20 0 HHADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060777 999051339 /nfs/dbraw/zinc/05/13/39/999051339.db2.gz BPSLTCYYWJMEIJ-DPLHUUCSSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060777 999051341 /nfs/dbraw/zinc/05/13/41/999051341.db2.gz BPSLTCYYWJMEIJ-DPLHUUCSSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000478903669 999202834 /nfs/dbraw/zinc/20/28/34/999202834.db2.gz XOWYINBJOGNBGP-PXDATVDWSA-N 1 3 420.601 3.656 20 0 HHADHO CN1CCN(c2cccc(Cl)c2CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478952576 999219311 /nfs/dbraw/zinc/21/93/11/999219311.db2.gz BMEVBJZUHVMLJT-OAQYLSRUSA-N 1 3 413.009 3.704 20 0 HHADHO CN1CCN(c2cccc(Cl)c2CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478952576 999219315 /nfs/dbraw/zinc/21/93/15/999219315.db2.gz BMEVBJZUHVMLJT-OAQYLSRUSA-N 1 3 413.009 3.704 20 0 HHADHO COc1cc2c(cc1OC)[C@@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000479332466 999389596 /nfs/dbraw/zinc/38/95/96/999389596.db2.gz FNAYQILORXJATP-DEOSSOPVSA-N 1 3 423.601 3.879 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc(Cl)ccc1Cl ZINC000488924109 999648650 /nfs/dbraw/zinc/64/86/50/999648650.db2.gz XQIRRTDETIXRRL-AWEZNQCLSA-N 1 3 413.393 3.912 20 0 HHADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178963 999717110 /nfs/dbraw/zinc/71/71/10/999717110.db2.gz XXZABCMPISSDEJ-LAUBAEHRSA-N 1 3 418.582 3.701 20 0 HHADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178963 999717112 /nfs/dbraw/zinc/71/71/12/999717112.db2.gz XXZABCMPISSDEJ-LAUBAEHRSA-N 1 3 418.582 3.701 20 0 HHADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178962 999717174 /nfs/dbraw/zinc/71/71/74/999717174.db2.gz XXZABCMPISSDEJ-DYESRHJHSA-N 1 3 418.582 3.701 20 0 HHADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178962 999717177 /nfs/dbraw/zinc/71/71/77/999717177.db2.gz XXZABCMPISSDEJ-DYESRHJHSA-N 1 3 418.582 3.701 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480149969 999731003 /nfs/dbraw/zinc/73/10/03/999731003.db2.gz UYZKEWLROYPANO-LJQANCHMSA-N 1 3 413.587 3.673 20 0 HHADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480256635 999757595 /nfs/dbraw/zinc/75/75/95/999757595.db2.gz LJWBKWRTNAZCCL-IBGZPJMESA-N 1 3 413.587 3.673 20 0 HHADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616794 999803570 /nfs/dbraw/zinc/80/35/70/999803570.db2.gz ARDKUXQWLKECMB-PQNGQFLHSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616794 999803572 /nfs/dbraw/zinc/80/35/72/999803572.db2.gz ARDKUXQWLKECMB-PQNGQFLHSA-N 1 3 408.590 3.717 20 0 HHADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489636284 999807408 /nfs/dbraw/zinc/80/74/08/999807408.db2.gz SPBHRRAWKLCTDL-JOCHJYFZSA-N 1 3 407.602 3.886 20 0 HHADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489636284 999807409 /nfs/dbraw/zinc/80/74/09/999807409.db2.gz SPBHRRAWKLCTDL-JOCHJYFZSA-N 1 3 407.602 3.886 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000489773164 999835460 /nfs/dbraw/zinc/83/54/60/999835460.db2.gz KOHYJPPWSSQSSK-LOSJGSFVSA-N 1 3 420.601 3.515 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000489773164 999835463 /nfs/dbraw/zinc/83/54/63/999835463.db2.gz KOHYJPPWSSQSSK-LOSJGSFVSA-N 1 3 420.601 3.515 20 0 HHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489802535 999841267 /nfs/dbraw/zinc/84/12/67/999841267.db2.gz CRSBSXHWDRLDQV-MOPGFXCFSA-N 1 3 414.516 3.651 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000489847296 999848733 /nfs/dbraw/zinc/84/87/33/999848733.db2.gz ZEFFQXHIABDFBD-ZCYQVOJMSA-N 1 3 420.601 3.687 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000489847296 999848737 /nfs/dbraw/zinc/84/87/37/999848737.db2.gz ZEFFQXHIABDFBD-ZCYQVOJMSA-N 1 3 420.601 3.687 20 0 HHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000491024356 1000035354 /nfs/dbraw/zinc/03/53/54/1000035354.db2.gz XDBQTPSKSWXUNU-CZSZKKDXSA-N 1 3 420.601 3.958 20 0 HHADHO C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000492578702 1000133407 /nfs/dbraw/zinc/13/34/07/1000133407.db2.gz IEUVMCREKNTGDZ-FJIJXJHWSA-N 1 3 408.590 3.542 20 0 HHADHO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000492578702 1000133409 /nfs/dbraw/zinc/13/34/09/1000133409.db2.gz IEUVMCREKNTGDZ-FJIJXJHWSA-N 1 3 408.590 3.542 20 0 HHADHO C[C@@H]1CN(CCSc2ccnc3cc(Cl)ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000492782494 1000143787 /nfs/dbraw/zinc/14/37/87/1000143787.db2.gz HIMSNXDTODOBJS-DYESRHJHSA-N 1 3 419.038 3.938 20 0 HHADHO COc1ccc([C@@H]2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521325 1000248597 /nfs/dbraw/zinc/24/85/97/1000248597.db2.gz KPTLFXOSCOPRTF-NFBKMPQASA-N 1 3 421.585 3.654 20 0 HHADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000495434205 1001011403 /nfs/dbraw/zinc/01/14/03/1001011403.db2.gz QRNOZASETIEKPM-BBTUJRGHSA-N 1 3 401.576 3.619 20 0 HHADHO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCCN3CCOCC3)CC2)c1 ZINC000506047897 1001189568 /nfs/dbraw/zinc/18/95/68/1001189568.db2.gz RIGWHLABFFRCCH-SFHVURJKSA-N 1 3 405.608 3.560 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000497433898 1001362641 /nfs/dbraw/zinc/36/26/41/1001362641.db2.gz DUYUTTOBSRNAEO-AVRDEDQJSA-N 1 3 412.578 3.727 20 0 HHADHO COc1ccc(CCCN(C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000497458534 1001377397 /nfs/dbraw/zinc/37/73/97/1001377397.db2.gz DFXYPKAFENHUBV-NRFANRHFSA-N 1 3 423.601 3.729 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)N(C)C)cc1 ZINC000506621466 1001473925 /nfs/dbraw/zinc/47/39/25/1001473925.db2.gz RPMPCQHXDMOPLX-XPNTWCBSSA-N 1 3 400.611 3.894 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)N(C)C)cc1 ZINC000506621466 1001473928 /nfs/dbraw/zinc/47/39/28/1001473928.db2.gz RPMPCQHXDMOPLX-XPNTWCBSSA-N 1 3 400.611 3.894 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000497790024 1001514664 /nfs/dbraw/zinc/51/46/64/1001514664.db2.gz DHDBDEIGNIYMQE-UHFFFAOYSA-N 1 3 400.567 3.688 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707383 1002091105 /nfs/dbraw/zinc/09/11/05/1002091105.db2.gz SXPBGXJDCSFFKA-ZJSXRUAMSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707383 1002091111 /nfs/dbraw/zinc/09/11/11/1002091111.db2.gz SXPBGXJDCSFFKA-ZJSXRUAMSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714419 1002096633 /nfs/dbraw/zinc/09/66/33/1002096633.db2.gz LGMVSNSZTXYGLX-TZIWHRDSSA-N 1 3 414.619 3.732 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714419 1002096644 /nfs/dbraw/zinc/09/66/44/1002096644.db2.gz LGMVSNSZTXYGLX-TZIWHRDSSA-N 1 3 414.619 3.732 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c(OCC)c2)CC1 ZINC000507593367 1002198910 /nfs/dbraw/zinc/19/89/10/1002198910.db2.gz LTUNSOSMQKROJM-FQEVSTJZSA-N 1 3 416.610 3.820 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c(OCC)c2)CC1 ZINC000507593367 1002198898 /nfs/dbraw/zinc/19/88/98/1002198898.db2.gz LTUNSOSMQKROJM-FQEVSTJZSA-N 1 3 416.610 3.820 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893775 1002283716 /nfs/dbraw/zinc/28/37/16/1002283716.db2.gz JYEFFJSOMZDNSU-CKUXNOBLSA-N 1 3 424.589 3.650 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893775 1002283727 /nfs/dbraw/zinc/28/37/27/1002283727.db2.gz JYEFFJSOMZDNSU-CKUXNOBLSA-N 1 3 424.589 3.650 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102063 1002492868 /nfs/dbraw/zinc/49/28/68/1002492868.db2.gz QDSWICGKVVXSLQ-FOVJLYNBSA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102063 1002492872 /nfs/dbraw/zinc/49/28/72/1002492872.db2.gz QDSWICGKVVXSLQ-FOVJLYNBSA-N 1 3 424.589 3.508 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000499104557 1002496564 /nfs/dbraw/zinc/49/65/64/1002496564.db2.gz WYBXKEBBJSQKNG-SXSPYAJSSA-N 1 3 412.553 3.638 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000499104557 1002496574 /nfs/dbraw/zinc/49/65/74/1002496574.db2.gz WYBXKEBBJSQKNG-SXSPYAJSSA-N 1 3 412.553 3.638 20 0 HHADHO Fc1ccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153067 1002536372 /nfs/dbraw/zinc/53/63/72/1002536372.db2.gz QQFWESJJDOQJAU-XDZVQPMWSA-N 1 3 423.576 3.984 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000508501796 1002983575 /nfs/dbraw/zinc/98/35/75/1002983575.db2.gz FMWYGFLESJRRKI-NRFANRHFSA-N 1 3 407.549 3.724 20 0 HHADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693537 1003131637 /nfs/dbraw/zinc/13/16/37/1003131637.db2.gz CYAQCZZDIGLNNW-SONWIMMPSA-N 1 3 406.618 3.697 20 0 HHADHO C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693799 1003132151 /nfs/dbraw/zinc/13/21/51/1003132151.db2.gz BQCJMVUHQCBEKW-BWKNWUBXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508693799 1003132170 /nfs/dbraw/zinc/13/21/70/1003132170.db2.gz BQCJMVUHQCBEKW-BWKNWUBXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693799 1003132160 /nfs/dbraw/zinc/13/21/60/1003132160.db2.gz BQCJMVUHQCBEKW-BWKNWUBXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508712117 1003150427 /nfs/dbraw/zinc/15/04/27/1003150427.db2.gz BTVJRJDYHWOEBH-VXJVQAQCSA-N 1 3 413.512 3.737 20 0 HHADHO C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508712183 1003150463 /nfs/dbraw/zinc/15/04/63/1003150463.db2.gz CFLVJKOCULTAIG-GPUOULLFSA-N 1 3 405.586 3.720 20 0 HHADHO C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508712187 1003150664 /nfs/dbraw/zinc/15/06/64/1003150664.db2.gz CFLVJKOCULTAIG-TUSQITKMSA-N 1 3 405.586 3.720 20 0 HHADHO C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508712182 1003150791 /nfs/dbraw/zinc/15/07/91/1003150791.db2.gz CFLVJKOCULTAIG-FTBPSBKWSA-N 1 3 405.586 3.720 20 0 HHADHO Cc1cccc([C@H](C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719501 1003159987 /nfs/dbraw/zinc/15/99/87/1003159987.db2.gz KWJUHZZNYZHZTO-RZFJZAQRSA-N 1 3 407.602 3.869 20 0 HHADHO C[C@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508880795 1003301718 /nfs/dbraw/zinc/30/17/18/1003301718.db2.gz MKQQQVAGRDDEKL-REWPJTCUSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508906759 1003345434 /nfs/dbraw/zinc/34/54/34/1003345434.db2.gz OGRXFTRCRBDUCR-FUDKSRODSA-N 1 3 400.611 3.831 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000500098885 1003460047 /nfs/dbraw/zinc/46/00/47/1003460047.db2.gz NQCUSXFUJNVEQZ-DEOSSOPVSA-N 1 3 408.590 3.992 20 0 HHADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000500131822 1003491944 /nfs/dbraw/zinc/49/19/44/1003491944.db2.gz NMGQWZQTCAOZJR-SFYKDHMMSA-N 1 3 409.578 3.598 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C(c4ccccc4Cl)CC3)CC2)CC1 ZINC000509212858 1003627914 /nfs/dbraw/zinc/62/79/14/1003627914.db2.gz RURDWBGUFBLXIR-UHFFFAOYSA-N 1 3 416.997 3.697 20 0 HHADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)N1CCCCC1 ZINC000500444587 1003721974 /nfs/dbraw/zinc/72/19/74/1003721974.db2.gz VAQQVDWLIIXLBX-IFMALSPDSA-N 1 3 401.595 3.513 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccccc3OCc3ccncc3)CC2)C[C@@H](C)O1 ZINC000512177011 1004079683 /nfs/dbraw/zinc/07/96/83/1004079683.db2.gz BXDWWDDUJCTJKK-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO CC(C)N1CCN(CCC[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000501013280 1004116976 /nfs/dbraw/zinc/11/69/76/1004116976.db2.gz YOQBCHZDTBLVOF-XMMPIXPASA-N 1 3 423.580 3.922 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCCC[C@@H]12 ZINC000501056032 1004158261 /nfs/dbraw/zinc/15/82/61/1004158261.db2.gz DKGAHEYMPLLLKL-NLPWIYRPSA-N 1 3 420.686 3.586 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCCC[C@@H]12 ZINC000501056032 1004158267 /nfs/dbraw/zinc/15/82/67/1004158267.db2.gz DKGAHEYMPLLLKL-NLPWIYRPSA-N 1 3 420.686 3.586 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000501077948 1004183201 /nfs/dbraw/zinc/18/32/01/1004183201.db2.gz PVUAEFGMXDDZKV-NRFANRHFSA-N 1 3 416.928 3.828 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618276 1004431457 /nfs/dbraw/zinc/43/14/57/1004431457.db2.gz IACZVNHJWFHTPF-ISQLDUATSA-N 1 3 416.512 3.595 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COc1ccc(F)c(F)c1 ZINC000512618276 1004431462 /nfs/dbraw/zinc/43/14/62/1004431462.db2.gz IACZVNHJWFHTPF-ISQLDUATSA-N 1 3 416.512 3.595 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634555 1004446862 /nfs/dbraw/zinc/44/68/62/1004446862.db2.gz DOCRSMKSXKJTKE-PZUNEJSGSA-N 1 3 421.585 3.544 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634555 1004446867 /nfs/dbraw/zinc/44/68/67/1004446867.db2.gz DOCRSMKSXKJTKE-PZUNEJSGSA-N 1 3 421.585 3.544 20 0 HHADHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000512637342 1004449560 /nfs/dbraw/zinc/44/95/60/1004449560.db2.gz UXDKCNLUORFZAY-DSNGMDLFSA-N 1 3 405.586 3.821 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698708 1004503021 /nfs/dbraw/zinc/50/30/21/1004503021.db2.gz KWOSZMDBVRDTNK-GIWBLDEGSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698708 1004503023 /nfs/dbraw/zinc/50/30/23/1004503023.db2.gz KWOSZMDBVRDTNK-GIWBLDEGSA-N 1 3 412.622 3.945 20 0 HHADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501768481 1004705773 /nfs/dbraw/zinc/70/57/73/1004705773.db2.gz WATKTMXMERUJLN-LJQANCHMSA-N 1 3 410.400 3.604 20 0 HHADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501768481 1004705779 /nfs/dbraw/zinc/70/57/79/1004705779.db2.gz WATKTMXMERUJLN-LJQANCHMSA-N 1 3 410.400 3.604 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501799999 1004742726 /nfs/dbraw/zinc/74/27/26/1004742726.db2.gz HVDSYAQLBDYZJF-XMMPIXPASA-N 1 3 406.574 3.919 20 0 HHADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000510752941 1004833272 /nfs/dbraw/zinc/83/32/72/1004833272.db2.gz VWUHHIAMIMPNOY-UHFFFAOYSA-N 1 3 415.603 3.976 20 0 HHADHO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000510999729 1004973553 /nfs/dbraw/zinc/97/35/53/1004973553.db2.gz NQGVUDIIEFOPFZ-GNLZIIPMSA-N 1 3 404.558 3.793 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000513475316 1004982838 /nfs/dbraw/zinc/98/28/38/1004982838.db2.gz IPHVSWTUMBULOH-UHFFFAOYSA-N 1 3 422.573 3.606 20 0 HHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@@H]21 ZINC000513659783 1005070099 /nfs/dbraw/zinc/07/00/99/1005070099.db2.gz DFIYNZOZFXAOLQ-JHNDHUHGSA-N 1 3 402.892 3.795 20 0 HHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@@H]21 ZINC000513659783 1005070103 /nfs/dbraw/zinc/07/01/03/1005070103.db2.gz DFIYNZOZFXAOLQ-JHNDHUHGSA-N 1 3 402.892 3.795 20 0 HHADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000513696646 1005086236 /nfs/dbraw/zinc/08/62/36/1005086236.db2.gz BUUYGMRBAALVHG-WXFUMESZSA-N 1 3 423.557 3.789 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267520 1005098844 /nfs/dbraw/zinc/09/88/44/1005098844.db2.gz IWNNZVORNUTGHO-ICSRJNTNSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267520 1005098849 /nfs/dbraw/zinc/09/88/49/1005098849.db2.gz IWNNZVORNUTGHO-ICSRJNTNSA-N 1 3 404.574 3.552 20 0 HHADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503065683 1005335214 /nfs/dbraw/zinc/33/52/14/1005335214.db2.gz ZZRDIPFJRKTHFA-XMMPIXPASA-N 1 3 420.601 3.957 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212136 1005369610 /nfs/dbraw/zinc/36/96/10/1005369610.db2.gz MSWVMEBWYFXOLH-GZGNHOFSSA-N 1 3 420.601 3.686 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212136 1005369614 /nfs/dbraw/zinc/36/96/14/1005369614.db2.gz MSWVMEBWYFXOLH-GZGNHOFSSA-N 1 3 420.601 3.686 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)CC1 ZINC000503386848 1005404933 /nfs/dbraw/zinc/40/49/33/1005404933.db2.gz FIXGWJOGDXQWKX-VWNXMTODSA-N 1 3 412.622 3.977 20 0 HHADHO CCCN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000503735762 1005487247 /nfs/dbraw/zinc/48/72/47/1005487247.db2.gz AAFLJICUELCBCW-QHCPKHFHSA-N 1 3 400.611 3.805 20 0 HHADHO CC1CC[NH+](Cc2cccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)c2)CC1 ZINC000504254131 1005583115 /nfs/dbraw/zinc/58/31/15/1005583115.db2.gz KXKGDVHJHKMPPI-UHFFFAOYSA-N 1 3 423.605 3.587 20 0 HHADHO CCN(CC)[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccsc1 ZINC000531204795 1006045294 /nfs/dbraw/zinc/04/52/94/1006045294.db2.gz CUZNZHKKWBJKOB-OAQYLSRUSA-N 1 3 400.592 3.867 20 0 HHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000531204664 1006045609 /nfs/dbraw/zinc/04/56/09/1006045609.db2.gz IFPRMYOGUQMXET-UHFFFAOYSA-N 1 3 408.590 3.629 20 0 HHADHO CN(c1ccccc1CNCc1cccc(Cn2ccnc2)c1)C1CC[NH+](C)CC1 ZINC000531597348 1006295756 /nfs/dbraw/zinc/29/57/56/1006295756.db2.gz FJSHVCOQSHWPPY-UHFFFAOYSA-N 1 3 403.574 3.752 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000531785317 1006425914 /nfs/dbraw/zinc/42/59/14/1006425914.db2.gz ANJRODMEOJHRQP-UHFFFAOYSA-N 1 3 422.617 3.990 20 0 HHADHO CN(c1ccccc1CNCc1cccc(Cn2cccn2)c1)C1CC[NH+](C)CC1 ZINC000532107958 1006641964 /nfs/dbraw/zinc/64/19/64/1006641964.db2.gz WHFFMNCONWEJBW-UHFFFAOYSA-N 1 3 403.574 3.752 20 0 HHADHO COc1ccc([C@H](N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388799 1006658401 /nfs/dbraw/zinc/65/84/01/1006658401.db2.gz CHZPQQKFNQBLDH-UQBPGWFLSA-N 1 3 421.585 3.905 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(N[C@@H](C)[C@@H](c3ccccc3)N3CCOCC3)cc2)CC1 ZINC000538535618 1006797717 /nfs/dbraw/zinc/79/77/17/1006797717.db2.gz SFCIPRUXPJXUGI-NVQXNPDNSA-N 1 3 422.617 3.698 20 0 HHADHO CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCN(Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000538546760 1006809810 /nfs/dbraw/zinc/80/98/10/1006809810.db2.gz QGMDJYQVNZDZMB-PXDATVDWSA-N 1 3 407.606 3.935 20 0 HHADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000532455025 1006897216 /nfs/dbraw/zinc/89/72/16/1006897216.db2.gz TYSIKUVLFITWMJ-GOSISDBHSA-N 1 3 403.592 3.630 20 0 HHADHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949413 1007236975 /nfs/dbraw/zinc/23/69/75/1007236975.db2.gz NRTZKEJCWCAXTD-SFHVURJKSA-N 1 3 403.636 3.855 20 0 HHADHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949413 1007236988 /nfs/dbraw/zinc/23/69/88/1007236988.db2.gz NRTZKEJCWCAXTD-SFHVURJKSA-N 1 3 403.636 3.855 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000539073638 1007365057 /nfs/dbraw/zinc/36/50/57/1007365057.db2.gz VKKIZXNDZBGONS-IBGZPJMESA-N 1 3 423.557 3.524 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000535341898 1007395741 /nfs/dbraw/zinc/39/57/41/1007395741.db2.gz XMJFVLMSQSXGQZ-ZEQRLZLVSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@@H]1CN(CCOC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000539150138 1007446594 /nfs/dbraw/zinc/44/65/94/1007446594.db2.gz WUXVXTCWTAAAKM-IAGOWNOFSA-N 1 3 411.384 3.539 20 0 HHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000517144813 1007459020 /nfs/dbraw/zinc/45/90/20/1007459020.db2.gz PPUQHBXFZAORMX-UHFFFAOYSA-N 1 3 414.516 3.653 20 0 HHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000517144813 1007459028 /nfs/dbraw/zinc/45/90/28/1007459028.db2.gz PPUQHBXFZAORMX-UHFFFAOYSA-N 1 3 414.516 3.653 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149390 1007462533 /nfs/dbraw/zinc/46/25/33/1007462533.db2.gz RTPVCVAFJIAXOE-HXUWFJFHSA-N 1 3 400.592 3.657 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149390 1007462538 /nfs/dbraw/zinc/46/25/38/1007462538.db2.gz RTPVCVAFJIAXOE-HXUWFJFHSA-N 1 3 400.592 3.657 20 0 HHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Br)ccc1OC(F)F ZINC000539247999 1007540306 /nfs/dbraw/zinc/54/03/06/1007540306.db2.gz PDKCPTYDNPVYEI-UHFFFAOYSA-N 1 3 420.342 3.508 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000517438593 1007660622 /nfs/dbraw/zinc/66/06/22/1007660622.db2.gz GDPKJIMQVIMJRD-IAQYHMDHSA-N 1 3 420.189 3.992 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000517438593 1007660628 /nfs/dbraw/zinc/66/06/28/1007660628.db2.gz GDPKJIMQVIMJRD-IAQYHMDHSA-N 1 3 420.189 3.992 20 0 HHADHO CN(CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC000535706015 1007744321 /nfs/dbraw/zinc/74/43/21/1007744321.db2.gz YOEVOOJNRMLGGW-UHFFFAOYSA-N 1 3 420.601 3.816 20 0 HHADHO CN(CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC000535706015 1007744331 /nfs/dbraw/zinc/74/43/31/1007744331.db2.gz YOEVOOJNRMLGGW-UHFFFAOYSA-N 1 3 420.601 3.816 20 0 HHADHO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000533448351 1007764960 /nfs/dbraw/zinc/76/49/60/1007764960.db2.gz HDDBKVMWMHUMTO-QHCPKHFHSA-N 1 3 404.558 3.953 20 0 HHADHO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000533448351 1007764965 /nfs/dbraw/zinc/76/49/65/1007764965.db2.gz HDDBKVMWMHUMTO-QHCPKHFHSA-N 1 3 404.558 3.953 20 0 HHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628814 1007945912 /nfs/dbraw/zinc/94/59/12/1007945912.db2.gz VSSQWIGXXVRTOT-RLWLMLJZSA-N 1 3 419.617 3.936 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094723 1008156123 /nfs/dbraw/zinc/15/61/23/1008156123.db2.gz UYLITJKGQZHJQZ-JTHBVZDNSA-N 1 3 416.610 3.738 20 0 HHADHO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045477 1008254539 /nfs/dbraw/zinc/25/45/39/1008254539.db2.gz PAOPDFVUXPZNSB-WOJBJXKFSA-N 1 3 406.574 3.986 20 0 HHADHO CCc1nc2c(s1)[C@@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000540168949 1008320320 /nfs/dbraw/zinc/32/03/20/1008320320.db2.gz IPZCATPWEKRZOH-IBGZPJMESA-N 1 3 412.603 3.698 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540172245 1008321675 /nfs/dbraw/zinc/32/16/75/1008321675.db2.gz VTYSJLLPQXYXPJ-INIZCTEOSA-N 1 3 423.586 3.656 20 0 HHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000540172726 1008322148 /nfs/dbraw/zinc/32/21/48/1008322148.db2.gz UMHYAPWPOWZWIK-BZUAXINKSA-N 1 3 401.364 3.998 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000540184254 1008326668 /nfs/dbraw/zinc/32/66/68/1008326668.db2.gz YMGGGYFWSLLJKZ-CVDCTZTESA-N 1 3 402.579 3.804 20 0 HHADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000518573421 1008351309 /nfs/dbraw/zinc/35/13/09/1008351309.db2.gz POLVOUQPXFGGGG-GMAHTHKFSA-N 1 3 421.585 3.922 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000518573419 1008351332 /nfs/dbraw/zinc/35/13/32/1008351332.db2.gz POLVOUQPXFGGGG-FYYLOGMGSA-N 1 3 421.585 3.922 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1 ZINC000519295133 1008706818 /nfs/dbraw/zinc/70/68/18/1008706818.db2.gz HUECXDJZICKDTD-DEOSSOPVSA-N 1 3 408.590 3.604 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)N2CCCC2)cc1 ZINC000520298832 1009423424 /nfs/dbraw/zinc/42/34/24/1009423424.db2.gz NRTAWZLBVOOYAT-DEOSSOPVSA-N 1 3 408.590 3.905 20 0 HHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867945 1009488298 /nfs/dbraw/zinc/48/82/98/1009488298.db2.gz JFBPICAYHPPYCC-ZCNNSNEGSA-N 1 3 412.496 3.615 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000543993219 1009592057 /nfs/dbraw/zinc/59/20/57/1009592057.db2.gz WGSBURPUYUVNPJ-XKQJLSEDSA-N 1 3 409.596 3.721 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000543993219 1009592061 /nfs/dbraw/zinc/59/20/61/1009592061.db2.gz WGSBURPUYUVNPJ-XKQJLSEDSA-N 1 3 409.596 3.721 20 0 HHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546873445 1009835147 /nfs/dbraw/zinc/83/51/47/1009835147.db2.gz XGQFJWYAYVOGAD-JOCHJYFZSA-N 1 3 414.981 3.551 20 0 HHADHO COc1ccc(Oc2ccc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351041 1009976942 /nfs/dbraw/zinc/97/69/42/1009976942.db2.gz NIINLZMQEFOKCM-CPJSRVTESA-N 1 3 409.574 3.945 20 0 HHADHO COc1ccc(Oc2ccc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351041 1009976954 /nfs/dbraw/zinc/97/69/54/1009976954.db2.gz NIINLZMQEFOKCM-CPJSRVTESA-N 1 3 409.574 3.945 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521688932 1010552592 /nfs/dbraw/zinc/55/25/92/1010552592.db2.gz KQJKOVPAGKRGOK-NRFANRHFSA-N 1 3 410.553 3.549 20 0 HHADHO COc1ccc(C[C@@H](C)CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011152 1010554812 /nfs/dbraw/zinc/55/48/12/1010554812.db2.gz PGPLMGGNOTVWKV-OAQYLSRUSA-N 1 3 413.581 3.763 20 0 HHADHO COc1ccc(C[C@@H](C)CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011152 1010554820 /nfs/dbraw/zinc/55/48/20/1010554820.db2.gz PGPLMGGNOTVWKV-OAQYLSRUSA-N 1 3 413.581 3.763 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088613 1010802145 /nfs/dbraw/zinc/80/21/45/1010802145.db2.gz RQAKVUOBNUXRDY-NQIIRXRSSA-N 1 3 400.592 3.562 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088613 1010802149 /nfs/dbraw/zinc/80/21/49/1010802149.db2.gz RQAKVUOBNUXRDY-NQIIRXRSSA-N 1 3 400.592 3.562 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000522176732 1010848649 /nfs/dbraw/zinc/84/86/49/1010848649.db2.gz KPYFFFIMNDRRFW-NQHRYMMQSA-N 1 3 420.601 3.978 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000522176732 1010848656 /nfs/dbraw/zinc/84/86/56/1010848656.db2.gz KPYFFFIMNDRRFW-NQHRYMMQSA-N 1 3 420.601 3.978 20 0 HHADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159043 1011286091 /nfs/dbraw/zinc/28/60/91/1011286091.db2.gz YJYYJHZDWFXXQR-ZTCHMBHUSA-N 1 3 418.585 3.927 20 0 HHADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159043 1011286104 /nfs/dbraw/zinc/28/61/04/1011286104.db2.gz YJYYJHZDWFXXQR-ZTCHMBHUSA-N 1 3 418.585 3.927 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536192732 1011333081 /nfs/dbraw/zinc/33/30/81/1011333081.db2.gz OZOWKQNMQDGAFC-OEMFJLHTSA-N 1 3 406.574 3.595 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536192732 1011333093 /nfs/dbraw/zinc/33/30/93/1011333093.db2.gz OZOWKQNMQDGAFC-OEMFJLHTSA-N 1 3 406.574 3.595 20 0 HHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000536694753 1011862339 /nfs/dbraw/zinc/86/23/39/1011862339.db2.gz VBYCDENJQZTWCS-DEOSSOPVSA-N 1 3 419.573 3.867 20 0 HHADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000541223602 1011897665 /nfs/dbraw/zinc/89/76/65/1011897665.db2.gz PYRUFJZLWJKAIS-KRWDZBQOSA-N 1 3 400.567 3.606 20 0 HHADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000541223603 1011897970 /nfs/dbraw/zinc/89/79/70/1011897970.db2.gz PYRUFJZLWJKAIS-QGZVFWFLSA-N 1 3 400.567 3.606 20 0 HHADHO Cc1ccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445356 1011940118 /nfs/dbraw/zinc/94/01/18/1011940118.db2.gz GXWPMZSHZPIYDH-PZJWPPBQSA-N 1 3 410.562 3.892 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(CCCCCn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000552273453 1012286873 /nfs/dbraw/zinc/28/68/73/1012286873.db2.gz AZXSDAVOFXHAPT-QFIPXVFZSA-N 1 3 410.610 3.954 20 0 HHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000569098057 1071987499 /nfs/dbraw/zinc/98/74/99/1071987499.db2.gz ODGYXIFDZNWFRM-RUZDIDTESA-N 1 3 420.601 3.842 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@@H](C)O1 ZINC000588708716 1073154820 /nfs/dbraw/zinc/15/48/20/1073154820.db2.gz CZDIXZCFNFMBOA-IAGOWNOFSA-N 1 3 404.580 3.552 20 0 HHADHO CC(C)c1ccc(C(C)(C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000591581578 1074425511 /nfs/dbraw/zinc/42/55/11/1074425511.db2.gz SKYAFQKFWXYAGA-UHFFFAOYSA-N 1 3 400.611 3.903 20 0 HHADHO O=C(N1CCC[C@H]([NH+]2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000593829939 1075229281 /nfs/dbraw/zinc/22/92/81/1075229281.db2.gz GDVRIJRWALGJFO-FPOVZHCZSA-N 1 3 409.496 3.528 20 0 HHADHO CN1CCC[C@@H](NC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000670017302 1075619163 /nfs/dbraw/zinc/61/91/63/1075619163.db2.gz KWRISBCJDNKWII-HOPUUNBDSA-N 1 3 404.986 3.647 20 0 HHADHO CN1CCC[C@@H](NC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000670017302 1075619169 /nfs/dbraw/zinc/61/91/69/1075619169.db2.gz KWRISBCJDNKWII-HOPUUNBDSA-N 1 3 404.986 3.647 20 0 HHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877603 721180888 /nfs/dbraw/zinc/18/08/88/721180888.db2.gz OYLSTQXREXUXCO-TZRRMPRUSA-N 1 3 421.589 3.503 20 0 HHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877603 721180901 /nfs/dbraw/zinc/18/09/01/721180901.db2.gz OYLSTQXREXUXCO-TZRRMPRUSA-N 1 3 421.589 3.503 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001165023257 721830621 /nfs/dbraw/zinc/83/06/21/721830621.db2.gz IKUTVQXIBBTPTN-TUACAJSNSA-N 1 3 405.590 3.809 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001165023257 721830623 /nfs/dbraw/zinc/83/06/23/721830623.db2.gz IKUTVQXIBBTPTN-TUACAJSNSA-N 1 3 405.590 3.809 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccccc2)nc1C ZINC000303157152 971533323 /nfs/dbraw/zinc/53/33/23/971533323.db2.gz UMCQJPOYUSCSFC-IBGZPJMESA-N 1 3 400.592 3.607 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198630 971555407 /nfs/dbraw/zinc/55/54/07/971555407.db2.gz NUMJPOOFOLIVNY-QZTJIDSGSA-N 1 3 410.389 3.772 20 0 HHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000524288466 1013095186 /nfs/dbraw/zinc/09/51/86/1013095186.db2.gz CPKQVHNSQPARRC-HSZRJFAPSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)Cc1ccccc1 ZINC000303451306 971751453 /nfs/dbraw/zinc/75/14/53/971751453.db2.gz IQLHWWTUXUDITK-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000303467189 971769891 /nfs/dbraw/zinc/76/98/91/971769891.db2.gz IDRRSYOHKZVLTG-OAQYLSRUSA-N 1 3 423.601 3.586 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC000303500085 971798598 /nfs/dbraw/zinc/79/85/98/971798598.db2.gz AIMMBHPIHFOEPK-UHFFFAOYSA-N 1 3 412.622 3.557 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC000303500085 971798603 /nfs/dbraw/zinc/79/86/03/971798603.db2.gz AIMMBHPIHFOEPK-UHFFFAOYSA-N 1 3 412.622 3.557 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(COc4ccccc4)CC3)CC2)CC1 ZINC000553371802 1013308295 /nfs/dbraw/zinc/30/82/95/1013308295.db2.gz VZQKJTTTXWNRKD-UHFFFAOYSA-N 1 3 413.606 3.500 20 0 HHADHO CCCCO[C@H]1C[C@H](N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497012 1013398282 /nfs/dbraw/zinc/39/82/82/1013398282.db2.gz JWGASAKRVAGNDB-VXKWHMMOSA-N 1 3 407.643 3.625 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000537841433 1013402936 /nfs/dbraw/zinc/40/29/36/1013402936.db2.gz LLJXFXPDEMCWTQ-DEOSSOPVSA-N 1 3 406.574 3.814 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000050802130 964401725 /nfs/dbraw/zinc/40/17/25/964401725.db2.gz SJPCTTWGFYVMDY-UHFFFAOYSA-N 1 3 416.418 3.760 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(COc4ccccc4)cc3)CC2)CC1 ZINC000050802353 964401941 /nfs/dbraw/zinc/40/19/41/964401941.db2.gz ATGXVCFGVXAVAZ-UHFFFAOYSA-N 1 3 407.558 3.554 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955495 1013535265 /nfs/dbraw/zinc/53/52/65/1013535265.db2.gz YMJQVDGWSJUWLS-IPMKNSEASA-N 1 3 409.368 3.630 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986587 1013561630 /nfs/dbraw/zinc/56/16/30/1013561630.db2.gz KCBBKTMDSKWDKB-GVXSCFBNSA-N 1 3 401.639 3.796 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC)c1 ZINC000029732239 965480393 /nfs/dbraw/zinc/48/03/93/965480393.db2.gz SKXPSPUJLAYORI-FQEVSTJZSA-N 1 3 404.599 3.687 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000030918938 965833215 /nfs/dbraw/zinc/83/32/15/965833215.db2.gz JSISIEBWHLCRHH-UHFFFAOYSA-N 1 3 414.981 3.710 20 0 HHADHO CN(C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000061195833 966394227 /nfs/dbraw/zinc/39/42/27/966394227.db2.gz BBXZQSBQODFDGG-XMMPIXPASA-N 1 3 408.590 3.645 20 0 HHADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061791042 966555292 /nfs/dbraw/zinc/55/52/92/966555292.db2.gz QHGVYVZBISOJKS-MOPGFXCFSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061791042 966555298 /nfs/dbraw/zinc/55/52/98/966555298.db2.gz QHGVYVZBISOJKS-MOPGFXCFSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000061792330 966556638 /nfs/dbraw/zinc/55/66/38/966556638.db2.gz ODRRMVVCACAERE-RTBURBONSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000061792330 966556648 /nfs/dbraw/zinc/55/66/48/966556648.db2.gz ODRRMVVCACAERE-RTBURBONSA-N 1 3 404.624 3.520 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253034 966631981 /nfs/dbraw/zinc/63/19/81/966631981.db2.gz PCJHEHXABYOZDC-HOTGVXAUSA-N 1 3 408.949 3.952 20 0 HHADHO CN(C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528599 966698301 /nfs/dbraw/zinc/69/83/01/966698301.db2.gz KLLFNBNTYURJGZ-UHFFFAOYSA-N 1 3 414.638 3.847 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)CC(C)C ZINC000063147009 966760940 /nfs/dbraw/zinc/76/09/40/966760940.db2.gz WANRWLPSKXBZOS-JOCHJYFZSA-N 1 3 404.668 3.872 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000542848287 1013707519 /nfs/dbraw/zinc/70/75/19/1013707519.db2.gz WWOWGQWSIVPEPS-DVECYGJZSA-N 1 3 424.589 3.978 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000542848287 1013707524 /nfs/dbraw/zinc/70/75/24/1013707524.db2.gz WWOWGQWSIVPEPS-DVECYGJZSA-N 1 3 424.589 3.978 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1cnn(-c3ccccc3)c1)c1ccccc1O2 ZINC000538274628 1013813979 /nfs/dbraw/zinc/81/39/79/1013813979.db2.gz UNWNITDLYFYNOJ-QHCPKHFHSA-N 1 3 402.542 3.993 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000065881507 968699049 /nfs/dbraw/zinc/69/90/49/968699049.db2.gz NZIWWLOLSQRAGY-ZFJSRUIDSA-N 1 3 409.549 3.989 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000065881507 968699057 /nfs/dbraw/zinc/69/90/57/968699057.db2.gz NZIWWLOLSQRAGY-ZFJSRUIDSA-N 1 3 409.549 3.989 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)c(C)c2)CC1 ZINC000108966143 969441536 /nfs/dbraw/zinc/44/15/36/969441536.db2.gz PXRZDBVPCYCTRU-UHFFFAOYSA-N 1 3 406.574 3.985 20 0 HHADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152495 969630779 /nfs/dbraw/zinc/63/07/79/969630779.db2.gz LXSOISMOVMSBSX-GHTZIAJQSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000110427929 969666606 /nfs/dbraw/zinc/66/66/06/969666606.db2.gz DEBOLQSABKLSAP-CALCHBBNSA-N 1 3 411.384 3.649 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000110991380 969755415 /nfs/dbraw/zinc/75/54/15/969755415.db2.gz KBIKHEQQTLYYAN-PMACEKPBSA-N 1 3 409.574 3.990 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)c1 ZINC000195720495 969980851 /nfs/dbraw/zinc/98/08/51/969980851.db2.gz YFQULKSMJKKNHF-DNQXCXABSA-N 1 3 424.589 3.743 20 0 HHADHO COC(=O)c1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237069711 970217510 /nfs/dbraw/zinc/21/75/10/970217510.db2.gz NMVFSEVODVZVAE-QFBILLFUSA-N 1 3 409.452 3.993 20 0 HHADHO COC(=O)c1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237069711 970217514 /nfs/dbraw/zinc/21/75/14/970217514.db2.gz NMVFSEVODVZVAE-QFBILLFUSA-N 1 3 409.452 3.993 20 0 HHADHO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC1CCN(CC[NH+](C)C)CC1 ZINC000237166789 970234050 /nfs/dbraw/zinc/23/40/50/970234050.db2.gz QQRHGSYNJVIVDP-UHFFFAOYSA-N 1 3 410.393 3.603 20 0 HHADHO C[N@H+](CCOc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1)C1CCOCC1 ZINC000237206309 970241543 /nfs/dbraw/zinc/24/15/43/970241543.db2.gz AAURLIQFHQTGFF-UHFFFAOYSA-N 1 3 420.557 3.652 20 0 HHADHO C[N@@H+](CCOc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1)C1CCOCC1 ZINC000237206309 970241547 /nfs/dbraw/zinc/24/15/47/970241547.db2.gz AAURLIQFHQTGFF-UHFFFAOYSA-N 1 3 420.557 3.652 20 0 HHADHO CC[NH+]1CCC(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000554587372 1013984420 /nfs/dbraw/zinc/98/44/20/1013984420.db2.gz RHXHOVOPSCLQQD-JOCHJYFZSA-N 1 3 404.551 3.640 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000250800226 970539250 /nfs/dbraw/zinc/53/92/50/970539250.db2.gz DKMDRTAYYQDUGH-RPWUZVMVSA-N 1 3 423.576 3.719 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000250800226 970539258 /nfs/dbraw/zinc/53/92/58/970539258.db2.gz DKMDRTAYYQDUGH-RPWUZVMVSA-N 1 3 423.576 3.719 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)(N2CCCCC2)CC1 ZINC000303973967 972560102 /nfs/dbraw/zinc/56/01/02/972560102.db2.gz UUZYSMZDNQJREI-VQTJNVASSA-N 1 3 423.523 3.875 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381303945 972780342 /nfs/dbraw/zinc/78/03/42/972780342.db2.gz BHEAXQRKRQPIAP-SCWSEQNSSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@H](O)c1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303945 972780351 /nfs/dbraw/zinc/78/03/51/972780351.db2.gz BHEAXQRKRQPIAP-SCWSEQNSSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@H](O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303945 972780356 /nfs/dbraw/zinc/78/03/56/972780356.db2.gz BHEAXQRKRQPIAP-SCWSEQNSSA-N 1 3 403.364 3.983 20 0 HHADHO [NH3+]C1CCN([C@H]2CCN(Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000393035856 972860104 /nfs/dbraw/zinc/86/01/04/972860104.db2.gz UHEZLYWFADUYLW-SFHVURJKSA-N 1 3 404.352 3.707 20 0 HHADHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1Br ZINC000397552847 972871776 /nfs/dbraw/zinc/87/17/76/972871776.db2.gz ZSRPSGUQBUHOGC-UHFFFAOYSA-N 1 3 403.364 3.874 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000426418140 974439596 /nfs/dbraw/zinc/43/95/96/974439596.db2.gz DYBSYCFJNPZNKB-FQEVSTJZSA-N 1 3 411.590 3.649 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426783858 974656630 /nfs/dbraw/zinc/65/66/30/974656630.db2.gz KSWNZXQMLLYEKM-KDURUIRLSA-N 1 3 422.013 3.558 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331781 976596497 /nfs/dbraw/zinc/59/64/97/976596497.db2.gz OUEMTZQTWKEQCR-RUZDIDTESA-N 1 3 421.585 3.692 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331781 976596501 /nfs/dbraw/zinc/59/65/01/976596501.db2.gz OUEMTZQTWKEQCR-RUZDIDTESA-N 1 3 421.585 3.692 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486030 976746098 /nfs/dbraw/zinc/74/60/98/976746098.db2.gz BTLLVYXTRLNQAE-REWPJTCUSA-N 1 3 414.638 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486030 976746109 /nfs/dbraw/zinc/74/61/09/976746109.db2.gz BTLLVYXTRLNQAE-REWPJTCUSA-N 1 3 414.638 3.833 20 0 HHADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494177 976751945 /nfs/dbraw/zinc/75/19/45/976751945.db2.gz RAIZHAVNBXKPQW-QIJUGHKUSA-N 1 3 400.611 3.584 20 0 HHADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494177 976751950 /nfs/dbraw/zinc/75/19/50/976751950.db2.gz RAIZHAVNBXKPQW-QIJUGHKUSA-N 1 3 400.611 3.584 20 0 HHADHO C[NH+](C)CCC1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429508316 976763883 /nfs/dbraw/zinc/76/38/83/976763883.db2.gz MXEZSQNWEBBJJD-QHCPKHFHSA-N 1 3 414.638 3.833 20 0 HHADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746196 978478125 /nfs/dbraw/zinc/47/81/25/978478125.db2.gz UFZGTMFQFQIJIV-DEOSSOPVSA-N 1 3 412.622 3.502 20 0 HHADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746196 978478131 /nfs/dbraw/zinc/47/81/31/978478131.db2.gz UFZGTMFQFQIJIV-DEOSSOPVSA-N 1 3 412.622 3.502 20 0 HHADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172001 979116548 /nfs/dbraw/zinc/11/65/48/979116548.db2.gz CVBDTCNPWITEDC-OAQYLSRUSA-N 1 3 423.576 3.861 20 0 HHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433386267 979268991 /nfs/dbraw/zinc/26/89/91/979268991.db2.gz HNRMAWTYLCTPAB-NNMXDRDESA-N 1 3 420.569 3.925 20 0 HHADHO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092860 980633268 /nfs/dbraw/zinc/63/32/68/980633268.db2.gz ASYVPUXHCYVGED-UNMCSNQZSA-N 1 3 424.593 3.634 20 0 HHADHO Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092860 980633274 /nfs/dbraw/zinc/63/32/74/980633274.db2.gz ASYVPUXHCYVGED-UNMCSNQZSA-N 1 3 424.593 3.634 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521262 980917171 /nfs/dbraw/zinc/91/71/71/980917171.db2.gz GJKPJZOGXPMARF-CEMLEFRQSA-N 1 3 424.593 3.585 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521262 980917176 /nfs/dbraw/zinc/91/71/76/980917176.db2.gz GJKPJZOGXPMARF-CEMLEFRQSA-N 1 3 424.593 3.585 20 0 HHADHO C[C@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438090121 982582373 /nfs/dbraw/zinc/58/23/73/982582373.db2.gz AOZSYAQGOFJBKM-HXUWFJFHSA-N 1 3 411.565 3.889 20 0 HHADHO CCOC(=O)Cn1nc(C)c(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000438117576 982596423 /nfs/dbraw/zinc/59/64/23/982596423.db2.gz OXAQTYOXVJBGME-GOSISDBHSA-N 1 3 404.599 3.540 20 0 HHADHO CCOC(=O)Cn1nc(C)c(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000438117576 982596425 /nfs/dbraw/zinc/59/64/25/982596425.db2.gz OXAQTYOXVJBGME-GOSISDBHSA-N 1 3 404.599 3.540 20 0 HHADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260175 982965935 /nfs/dbraw/zinc/96/59/35/982965935.db2.gz CBMJYQZBEBHCPV-CTNGQTDRSA-N 1 3 411.512 3.774 20 0 HHADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260175 982965942 /nfs/dbraw/zinc/96/59/42/982965942.db2.gz CBMJYQZBEBHCPV-CTNGQTDRSA-N 1 3 411.512 3.774 20 0 HHADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000438708732 983018000 /nfs/dbraw/zinc/01/80/00/983018000.db2.gz GHWGAIYBJRIKFP-UHFFFAOYSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000438957339 983177440 /nfs/dbraw/zinc/17/74/40/983177440.db2.gz HIPVLBYKVWSMJZ-HXUWFJFHSA-N 1 3 421.589 3.571 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000438971192 983186952 /nfs/dbraw/zinc/18/69/52/983186952.db2.gz XFEXPNNENLWNKJ-HXUWFJFHSA-N 1 3 423.605 3.948 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974874 983189398 /nfs/dbraw/zinc/18/93/98/983189398.db2.gz PQHPOOUCGKVHHK-HYBUGGRVSA-N 1 3 423.605 3.989 20 0 HHADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000440175743 983670357 /nfs/dbraw/zinc/67/03/57/983670357.db2.gz QDAWELMAPCIALX-QHCPKHFHSA-N 1 3 400.611 3.803 20 0 HHADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000440175743 983670358 /nfs/dbraw/zinc/67/03/58/983670358.db2.gz QDAWELMAPCIALX-QHCPKHFHSA-N 1 3 400.611 3.803 20 0 HHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000440187065 983675104 /nfs/dbraw/zinc/67/51/04/983675104.db2.gz LKRIVDRUSKTLQV-FQEVSTJZSA-N 1 3 403.615 3.616 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194382 983678260 /nfs/dbraw/zinc/67/82/60/983678260.db2.gz YMFPHFIEHLBMOJ-DVECYGJZSA-N 1 3 423.605 3.772 20 0 HHADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000462183989 985164773 /nfs/dbraw/zinc/16/47/73/985164773.db2.gz ARCUOTBLXFZTCE-KRWDZBQOSA-N 1 3 422.411 3.619 20 0 HHADHO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442874708 985254870 /nfs/dbraw/zinc/25/48/70/985254870.db2.gz NNUXQVOIJSBYLZ-KBXCAEBGSA-N 1 3 412.441 3.848 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687608 985627466 /nfs/dbraw/zinc/62/74/66/985627466.db2.gz SDJGLGSSJNUORS-RDPSFJRHSA-N 1 3 406.574 3.602 20 0 HHADHO CC1CCN(CCC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccc(F)cc2)CC1 ZINC000462819084 985744937 /nfs/dbraw/zinc/74/49/37/985744937.db2.gz WOKPHDWAIXHSJX-OAQYLSRUSA-N 1 3 410.599 3.793 20 0 HHADHO CC1CCN(CCC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824454 985748323 /nfs/dbraw/zinc/74/83/23/985748323.db2.gz YPXCXCLKIDAFAK-SIKLNZKXSA-N 1 3 410.599 3.793 20 0 HHADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000443846795 986049593 /nfs/dbraw/zinc/04/95/93/986049593.db2.gz WPZQPFZVVABCNR-WMZHIEFXSA-N 1 3 424.589 3.583 20 0 HHADHO C[C@@H]1C[C@H](NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133615 986100474 /nfs/dbraw/zinc/10/04/74/986100474.db2.gz USTMDCSCQUSHPS-ZPZUNKDASA-N 1 3 411.565 3.842 20 0 HHADHO C[C@@H]1C[C@H](NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133615 986100478 /nfs/dbraw/zinc/10/04/78/986100478.db2.gz USTMDCSCQUSHPS-ZPZUNKDASA-N 1 3 411.565 3.842 20 0 HHADHO c1ccc(CC[NH+]2CCC(NC[C@@H]3CSCCN3Cc3ccccc3)CC2)cc1 ZINC000463245303 986212798 /nfs/dbraw/zinc/21/27/98/986212798.db2.gz RMBKTPRCBYYBGG-RUZDIDTESA-N 1 3 409.643 3.901 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(C4CC4)nc4ccc(F)cc43)CC2)CC1 ZINC000463623672 986598998 /nfs/dbraw/zinc/59/89/98/986598998.db2.gz ORFKWJBPIXTKAF-UHFFFAOYSA-N 1 3 410.537 3.540 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000444836425 986994294 /nfs/dbraw/zinc/99/42/94/986994294.db2.gz LSSYWVCDLBLARK-UHFFFAOYSA-N 1 3 402.436 3.525 20 0 HHADHO COc1cccc([C@@H](C)CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000469304021 987018547 /nfs/dbraw/zinc/01/85/47/987018547.db2.gz ZPONOIRLIDIQOL-IBGZPJMESA-N 1 3 401.595 3.644 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000469759303 987412635 /nfs/dbraw/zinc/41/26/35/987412635.db2.gz XZOSCLLMCVECPY-LMMKCTJWSA-N 1 3 411.512 3.534 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000469784928 987430832 /nfs/dbraw/zinc/43/08/32/987430832.db2.gz DNHNWZJIJYOGLL-ZGXWSNOMSA-N 1 3 407.624 3.527 20 0 HHADHO C[NH+](C)CCc1ccccc1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000470259840 988206013 /nfs/dbraw/zinc/20/60/13/988206013.db2.gz UMVWQYJBNPFLPW-UHFFFAOYSA-N 1 3 412.500 3.718 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000470491817 988483689 /nfs/dbraw/zinc/48/36/89/988483689.db2.gz AVUJCROVLAQBKN-LJQANCHMSA-N 1 3 421.589 3.667 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548603 988726296 /nfs/dbraw/zinc/72/62/96/988726296.db2.gz KVAHSBDFLLUOMW-PZJWPPBQSA-N 1 3 411.512 3.631 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548603 988726300 /nfs/dbraw/zinc/72/63/00/988726300.db2.gz KVAHSBDFLLUOMW-PZJWPPBQSA-N 1 3 411.512 3.631 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755991 988797300 /nfs/dbraw/zinc/79/73/00/988797300.db2.gz NPLDVYFCJCDDQO-WOJBJXKFSA-N 1 3 404.624 3.648 20 0 HHADHO C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900627 988975339 /nfs/dbraw/zinc/97/53/39/988975339.db2.gz QUOPFMZWXSBENT-ZJSXRUAMSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900627 988975344 /nfs/dbraw/zinc/97/53/44/988975344.db2.gz QUOPFMZWXSBENT-ZJSXRUAMSA-N 1 3 408.590 3.813 20 0 HHADHO C/C=C/c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993722 989059745 /nfs/dbraw/zinc/05/97/45/989059745.db2.gz LJLKDXQNDNRYJY-ZHOZDRNWSA-N 1 3 422.569 3.532 20 0 HHADHO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993722 989059756 /nfs/dbraw/zinc/05/97/56/989059756.db2.gz LJLKDXQNDNRYJY-ZHOZDRNWSA-N 1 3 422.569 3.532 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c(C)c2)CC1 ZINC000465056127 989380831 /nfs/dbraw/zinc/38/08/31/989380831.db2.gz FQSUPAFXLIEURF-IRLDBZIGSA-N 1 3 413.610 3.616 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c(C)c2)CC1 ZINC000465056127 989380840 /nfs/dbraw/zinc/38/08/40/989380840.db2.gz FQSUPAFXLIEURF-IRLDBZIGSA-N 1 3 413.610 3.616 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459410 989799861 /nfs/dbraw/zinc/79/98/61/989799861.db2.gz UKHKTGQGEMODAN-QKNQBKEWSA-N 1 3 400.592 3.733 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459410 989799868 /nfs/dbraw/zinc/79/98/68/989799868.db2.gz UKHKTGQGEMODAN-QKNQBKEWSA-N 1 3 400.592 3.733 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601324 989805318 /nfs/dbraw/zinc/80/53/18/989805318.db2.gz ILCSXOJUXBVGFF-IRLDBZIGSA-N 1 3 414.619 3.952 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601324 989805337 /nfs/dbraw/zinc/80/53/37/989805337.db2.gz ILCSXOJUXBVGFF-IRLDBZIGSA-N 1 3 414.619 3.952 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)CC(C)C ZINC000471603316 989806875 /nfs/dbraw/zinc/80/68/75/989806875.db2.gz SOMSMGSVDZIMIX-ACBHZAAOSA-N 1 3 420.564 3.847 20 0 HHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000465562376 989928693 /nfs/dbraw/zinc/92/86/93/989928693.db2.gz FXKZRBUXTXFQQD-QHCPKHFHSA-N 1 3 404.558 3.571 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465611559 989997088 /nfs/dbraw/zinc/99/70/88/989997088.db2.gz VPLDRZOSUHFDOU-VXKWHMMOSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465611559 989997098 /nfs/dbraw/zinc/99/70/98/989997098.db2.gz VPLDRZOSUHFDOU-VXKWHMMOSA-N 1 3 400.611 3.947 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720268 990105713 /nfs/dbraw/zinc/10/57/13/990105713.db2.gz OECVPQHJARCGGS-FYYLOGMGSA-N 1 3 400.611 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720268 990105715 /nfs/dbraw/zinc/10/57/15/990105715.db2.gz OECVPQHJARCGGS-FYYLOGMGSA-N 1 3 400.611 3.833 20 0 HHADHO CC(C)[NH+](CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(C)C ZINC000472003629 990173247 /nfs/dbraw/zinc/17/32/47/990173247.db2.gz UIQXMNSMIBGKKO-UHFFFAOYSA-N 1 3 406.537 3.600 20 0 HHADHO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804566 990187221 /nfs/dbraw/zinc/18/72/21/990187221.db2.gz DDUZNKKJNZMZIF-ZEQRLZLVSA-N 1 3 412.622 3.831 20 0 HHADHO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465806793 990189552 /nfs/dbraw/zinc/18/95/52/990189552.db2.gz HBVWGIPSVLSCQS-UTKZUKDTSA-N 1 3 402.583 3.629 20 0 HHADHO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465809103 990191103 /nfs/dbraw/zinc/19/11/03/990191103.db2.gz KEDOCUGQHYABJB-PGRDOPGGSA-N 1 3 416.610 3.883 20 0 HHADHO CCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466088746 991268070 /nfs/dbraw/zinc/26/80/70/991268070.db2.gz BQRVKZMFBBGABF-HSZRJFAPSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@H](NCc1cncc(Br)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000466352486 991616629 /nfs/dbraw/zinc/61/66/29/991616629.db2.gz LMBBBVAPXKDMMY-AWEZNQCLSA-N 1 3 407.331 3.586 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000466400992 991694743 /nfs/dbraw/zinc/69/47/43/991694743.db2.gz XOUCBBYPDNSRMM-YKSBVNFPSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000466728361 992038994 /nfs/dbraw/zinc/03/89/94/992038994.db2.gz IINMJJVFZAUDBX-IAGOWNOFSA-N 1 3 416.484 3.785 20 0 HHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466873184 992194595 /nfs/dbraw/zinc/19/45/95/992194595.db2.gz HIFOBTLCGTYESS-UHFFFAOYSA-N 1 3 416.997 3.718 20 0 HHADHO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293782 993308610 /nfs/dbraw/zinc/30/86/10/993308610.db2.gz CAVPKTCPKAVZNP-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293782 993308616 /nfs/dbraw/zinc/30/86/16/993308616.db2.gz CAVPKTCPKAVZNP-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO CN1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000472306126 993318112 /nfs/dbraw/zinc/31/81/12/993318112.db2.gz PJDRTUGOZDQTCH-XZOQPEGZSA-N 1 3 424.614 3.845 20 0 HHADHO CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472695765 993616694 /nfs/dbraw/zinc/61/66/94/993616694.db2.gz CYGRUSNJDLTYER-JOCHJYFZSA-N 1 3 410.562 3.755 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480768399 993633503 /nfs/dbraw/zinc/63/35/03/993633503.db2.gz GMODFMCJHJDOEJ-QGZVFWFLSA-N 1 3 402.608 3.805 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163601 993995529 /nfs/dbraw/zinc/99/55/29/993995529.db2.gz AJJMLRGTLQGJOJ-REWPJTCUSA-N 1 3 421.589 3.511 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209762 994042968 /nfs/dbraw/zinc/04/29/68/994042968.db2.gz PGLWTNSVYRICDX-ZPZUNKDASA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209762 994042977 /nfs/dbraw/zinc/04/29/77/994042977.db2.gz PGLWTNSVYRICDX-ZPZUNKDASA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000481320295 994140235 /nfs/dbraw/zinc/14/02/35/994140235.db2.gz ZLXJZOBMLSZSPP-JOCHJYFZSA-N 1 3 418.589 3.516 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819247 994746914 /nfs/dbraw/zinc/74/69/14/994746914.db2.gz FXAQLOCHLZIFNI-NZQKXSOJSA-N 1 3 421.589 3.613 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819247 994746927 /nfs/dbraw/zinc/74/69/27/994746927.db2.gz FXAQLOCHLZIFNI-NZQKXSOJSA-N 1 3 421.589 3.613 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932186 994804918 /nfs/dbraw/zinc/80/49/18/994804918.db2.gz MQLKSSSQIVLDII-HOJAQTOUSA-N 1 3 410.002 3.654 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932186 994804927 /nfs/dbraw/zinc/80/49/27/994804927.db2.gz MQLKSSSQIVLDII-HOJAQTOUSA-N 1 3 410.002 3.654 20 0 HHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCc3cc(Br)ccc32)c1 ZINC000482240137 995222650 /nfs/dbraw/zinc/22/26/50/995222650.db2.gz OGPZJCUMZLEOIA-FQEVSTJZSA-N 1 3 416.363 3.518 20 0 HHADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-c2ccncc2)cc1 ZINC000482241524 995224174 /nfs/dbraw/zinc/22/41/74/995224174.db2.gz KQQBGKYPNYCYCB-LJQANCHMSA-N 1 3 402.542 3.891 20 0 HHADHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256410 995234455 /nfs/dbraw/zinc/23/44/55/995234455.db2.gz GYWZZSUESMUYAY-SFHVURJKSA-N 1 3 412.530 3.756 20 0 HHADHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256410 995234464 /nfs/dbraw/zinc/23/44/64/995234464.db2.gz GYWZZSUESMUYAY-SFHVURJKSA-N 1 3 412.530 3.756 20 0 HHADHO O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482434228 995426940 /nfs/dbraw/zinc/42/69/40/995426940.db2.gz FACCTXKKAHFMLZ-OKFDZGCWSA-N 1 3 403.570 3.973 20 0 HHADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570403 995575857 /nfs/dbraw/zinc/57/58/57/995575857.db2.gz WJHQWFXYMZBZQZ-CRAIPNDOSA-N 1 3 416.566 3.504 20 0 HHADHO Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625369 995620183 /nfs/dbraw/zinc/62/01/83/995620183.db2.gz CSDAHISCHSYPLH-UXHICEINSA-N 1 3 417.619 3.945 20 0 HHADHO Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625371 995620428 /nfs/dbraw/zinc/62/04/28/995620428.db2.gz CSDAHISCHSYPLH-VQTJNVASSA-N 1 3 417.619 3.945 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475175797 995973151 /nfs/dbraw/zinc/97/31/51/995973151.db2.gz RTNSJARQKBBXEC-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475175797 995973155 /nfs/dbraw/zinc/97/31/55/995973155.db2.gz RTNSJARQKBBXEC-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140174 995998527 /nfs/dbraw/zinc/99/85/27/995998527.db2.gz ZSOAHWNGNFWTIC-CUWPLCDZSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140174 995998534 /nfs/dbraw/zinc/99/85/34/995998534.db2.gz ZSOAHWNGNFWTIC-CUWPLCDZSA-N 1 3 424.427 3.754 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000483149804 996004138 /nfs/dbraw/zinc/00/41/38/996004138.db2.gz XQIPRNFMLSRGBF-SFHVURJKSA-N 1 3 405.583 3.595 20 0 HHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475270240 996036996 /nfs/dbraw/zinc/03/69/96/996036996.db2.gz PXSVDWBLHWPDRE-GOSISDBHSA-N 1 3 408.498 3.840 20 0 HHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475270240 996036998 /nfs/dbraw/zinc/03/69/98/996036998.db2.gz PXSVDWBLHWPDRE-GOSISDBHSA-N 1 3 408.498 3.840 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475290193 996048293 /nfs/dbraw/zinc/04/82/93/996048293.db2.gz GTVQBWGWKBPHMX-IEZKXTBUSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475290193 996048298 /nfs/dbraw/zinc/04/82/98/996048298.db2.gz GTVQBWGWKBPHMX-IEZKXTBUSA-N 1 3 420.601 3.813 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C[C@@H]1C ZINC000483706353 996340229 /nfs/dbraw/zinc/34/02/29/996340229.db2.gz FEABBWONJQLFEO-PMVMPFDFSA-N 1 3 400.611 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C[C@@H]1C ZINC000483706353 996340232 /nfs/dbraw/zinc/34/02/32/996340232.db2.gz FEABBWONJQLFEO-PMVMPFDFSA-N 1 3 400.611 3.974 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)CC1 ZINC000483923858 996471481 /nfs/dbraw/zinc/47/14/81/996471481.db2.gz FKZNVBNOUHFVIA-UHFFFAOYSA-N 1 3 416.900 3.622 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475962109 996501947 /nfs/dbraw/zinc/50/19/47/996501947.db2.gz ZRWKMLGJUVQVDR-HXUWFJFHSA-N 1 3 404.624 3.981 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475996764 996526136 /nfs/dbraw/zinc/52/61/36/996526136.db2.gz IYQGHMCVXBGBKT-UHFFFAOYSA-N 1 3 422.564 3.835 20 0 HHADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000484483401 996804710 /nfs/dbraw/zinc/80/47/10/996804710.db2.gz LROQWKFLDMXBQZ-CYBMUJFWSA-N 1 3 407.452 3.566 20 0 HHADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000484949511 997327660 /nfs/dbraw/zinc/32/76/60/997327660.db2.gz WEGNBUTXPAWYEP-UHFFFAOYSA-N 1 3 401.620 3.764 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000476906099 997511796 /nfs/dbraw/zinc/51/17/96/997511796.db2.gz MFGDLEMMMPRDEE-YKSBVNFPSA-N 1 3 406.574 3.745 20 0 HHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000477278734 997957989 /nfs/dbraw/zinc/95/79/89/997957989.db2.gz OYPVKEBJONRMCO-LJQANCHMSA-N 1 3 404.599 3.786 20 0 HHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000477278734 997957999 /nfs/dbraw/zinc/95/79/99/997957999.db2.gz OYPVKEBJONRMCO-LJQANCHMSA-N 1 3 404.599 3.786 20 0 HHADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111581 998558555 /nfs/dbraw/zinc/55/85/55/998558555.db2.gz RSJFWCVVKHAISS-RXVVDRJESA-N 1 3 404.624 3.791 20 0 HHADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111581 998558562 /nfs/dbraw/zinc/55/85/62/998558562.db2.gz RSJFWCVVKHAISS-RXVVDRJESA-N 1 3 404.624 3.791 20 0 HHADHO Cc1cc(NC2CCN(Cc3ccccn3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477850847 998604230 /nfs/dbraw/zinc/60/42/30/998604230.db2.gz DGHBBPJKZXHWTM-UHFFFAOYSA-N 1 3 407.606 3.997 20 0 HHADHO Cc1cc(Br)cc(CNCC2(O)CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000478212884 998826208 /nfs/dbraw/zinc/82/62/08/998826208.db2.gz VHMDMSBIEMBBRB-UHFFFAOYSA-N 1 3 421.326 3.684 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274475 999120939 /nfs/dbraw/zinc/12/09/39/999120939.db2.gz USNBFNCYDTUNQS-RTBURBONSA-N 1 3 408.468 3.563 20 0 HHADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000478903672 999202853 /nfs/dbraw/zinc/20/28/53/999202853.db2.gz XOWYINBJOGNBGP-SQJMNOBHSA-N 1 3 420.601 3.656 20 0 HHADHO CC(C)Oc1ccccc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000487807204 999296497 /nfs/dbraw/zinc/29/64/97/999296497.db2.gz MYJHNALFGUUNGT-UHFFFAOYSA-N 1 3 401.595 3.678 20 0 HHADHO CC(C)Oc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000487974875 999333405 /nfs/dbraw/zinc/33/34/05/999333405.db2.gz CKNJXPQSGARCHK-UHFFFAOYSA-N 1 3 401.595 3.678 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077174 999369050 /nfs/dbraw/zinc/36/90/50/999369050.db2.gz RYABQTAEUFILMW-DPLHUUCSSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077174 999369054 /nfs/dbraw/zinc/36/90/54/999369054.db2.gz RYABQTAEUFILMW-DPLHUUCSSA-N 1 3 408.590 3.717 20 0 HHADHO CC[N@H+](CCC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000488102869 999376761 /nfs/dbraw/zinc/37/67/61/999376761.db2.gz QHHHFQZLCFRGKE-UHFFFAOYSA-N 1 3 400.563 3.865 20 0 HHADHO CC[N@@H+](CCC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1)CC1CC1 ZINC000488102869 999376763 /nfs/dbraw/zinc/37/67/63/999376763.db2.gz QHHHFQZLCFRGKE-UHFFFAOYSA-N 1 3 400.563 3.865 20 0 HHADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000480136698 999727298 /nfs/dbraw/zinc/72/72/98/999727298.db2.gz IGGRLAORXLCZEY-IBGZPJMESA-N 1 3 415.603 3.919 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480149968 999731088 /nfs/dbraw/zinc/73/10/88/999731088.db2.gz UYZKEWLROYPANO-IBGZPJMESA-N 1 3 413.587 3.673 20 0 HHADHO COCCN(C)c1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000480367722 999781869 /nfs/dbraw/zinc/78/18/69/999781869.db2.gz WMYHUUFLHDNBTH-UHFFFAOYSA-N 1 3 416.997 3.819 20 0 HHADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCCO2 ZINC000489573008 999795083 /nfs/dbraw/zinc/79/50/83/999795083.db2.gz PDKVOUCIEHUVCW-HXUWFJFHSA-N 1 3 400.954 3.799 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618609 999842605 /nfs/dbraw/zinc/84/26/05/999842605.db2.gz WOTVTRFBWBXJEN-KBPBESRZSA-N 1 3 407.452 3.566 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618612 999842624 /nfs/dbraw/zinc/84/26/24/999842624.db2.gz WOTVTRFBWBXJEN-KGLIPLIRSA-N 1 3 407.452 3.566 20 0 HHADHO Cc1cccc(N2CC[NH+](CCCCNCc3nccn3-c3ccccc3)CC2)c1 ZINC000480664196 999854261 /nfs/dbraw/zinc/85/42/61/999854261.db2.gz MOIIXWSRUQIRPE-UHFFFAOYSA-N 1 3 403.574 3.873 20 0 HHADHO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000490940644 1000026039 /nfs/dbraw/zinc/02/60/39/1000026039.db2.gz UCKHRGCQTWTSGA-UHFFFAOYSA-N 1 3 412.603 3.661 20 0 HHADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490952142 1000026589 /nfs/dbraw/zinc/02/65/89/1000026589.db2.gz QHGVYVZBISOJKS-RTBURBONSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490952142 1000026592 /nfs/dbraw/zinc/02/65/92/1000026592.db2.gz QHGVYVZBISOJKS-RTBURBONSA-N 1 3 404.624 3.520 20 0 HHADHO OCC[NH+]1CCC(CN[C@@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000491039560 1000038241 /nfs/dbraw/zinc/03/82/41/1000038241.db2.gz RCKVXJDXLUUSJT-NRFANRHFSA-N 1 3 421.354 3.972 20 0 HHADHO OC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(Br)c(F)c1 ZINC000492261775 1000118457 /nfs/dbraw/zinc/11/84/57/1000118457.db2.gz WGTIFFCAARPFFK-OAQYLSRUSA-N 1 3 421.354 3.918 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(Br)c(Cl)c2)C1 ZINC000494191346 1000353098 /nfs/dbraw/zinc/35/30/98/1000353098.db2.gz INCWXHPECYAKEO-QGZVFWFLSA-N 1 3 409.755 3.959 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(Br)c(Cl)c2)C1 ZINC000494191346 1000353102 /nfs/dbraw/zinc/35/31/02/1000353102.db2.gz INCWXHPECYAKEO-QGZVFWFLSA-N 1 3 409.755 3.959 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923572 1000732257 /nfs/dbraw/zinc/73/22/57/1000732257.db2.gz LYFZBCVZEVVLJW-RCZVLFRGSA-N 1 3 411.565 3.831 20 0 HHADHO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCN3CCC2CC3)c1 ZINC000505410153 1000754128 /nfs/dbraw/zinc/75/41/28/1000754128.db2.gz RNDMNTHVNLCDQB-RPBOFIJWSA-N 1 3 403.570 3.517 20 0 HHADHO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCN3CCC2CC3)c1 ZINC000505410153 1000754133 /nfs/dbraw/zinc/75/41/33/1000754133.db2.gz RNDMNTHVNLCDQB-RPBOFIJWSA-N 1 3 403.570 3.517 20 0 HHADHO CN(C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000497617532 1001460441 /nfs/dbraw/zinc/46/04/41/1001460441.db2.gz QUXZXNZLWGWWPZ-KORDQABASA-N 1 3 412.622 3.726 20 0 HHADHO CN(C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497617532 1001460444 /nfs/dbraw/zinc/46/04/44/1001460444.db2.gz QUXZXNZLWGWWPZ-KORDQABASA-N 1 3 412.622 3.726 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000497633219 1001465872 /nfs/dbraw/zinc/46/58/72/1001465872.db2.gz LNQRPVIESVROMO-JPYJTQIMSA-N 1 3 412.553 3.953 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCc2ccccc21 ZINC000507464071 1002085992 /nfs/dbraw/zinc/08/59/92/1002085992.db2.gz WJDXICYALWVVHJ-WXFUMESZSA-N 1 3 403.570 3.856 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714418 1002097081 /nfs/dbraw/zinc/09/70/81/1002097081.db2.gz LGMVSNSZTXYGLX-PZJWPPBQSA-N 1 3 414.619 3.732 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714418 1002097087 /nfs/dbraw/zinc/09/70/87/1002097087.db2.gz LGMVSNSZTXYGLX-PZJWPPBQSA-N 1 3 414.619 3.732 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717154 1002098914 /nfs/dbraw/zinc/09/89/14/1002098914.db2.gz LVTKGWOWBFAOCL-IFMALSPDSA-N 1 3 412.578 3.572 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717154 1002098929 /nfs/dbraw/zinc/09/89/29/1002098929.db2.gz LVTKGWOWBFAOCL-IFMALSPDSA-N 1 3 412.578 3.572 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c(OCC)c2)CC1 ZINC000507617600 1002222893 /nfs/dbraw/zinc/22/28/93/1002222893.db2.gz HCIJYRDFVYMYNY-GOSISDBHSA-N 1 3 404.599 3.723 20 0 HHADHO CCc1cc(N2CCC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148872 1002532549 /nfs/dbraw/zinc/53/25/49/1002532549.db2.gz UIGFGNGJEOYEPU-YCAMKHIRSA-N 1 3 405.590 3.793 20 0 HHADHO CCc1cc(N2CCC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148872 1002532565 /nfs/dbraw/zinc/53/25/65/1002532565.db2.gz UIGFGNGJEOYEPU-YCAMKHIRSA-N 1 3 405.590 3.793 20 0 HHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157627 1002542703 /nfs/dbraw/zinc/54/27/03/1002542703.db2.gz QNUVFYAIYAOEEK-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157627 1002542714 /nfs/dbraw/zinc/54/27/14/1002542714.db2.gz QNUVFYAIYAOEEK-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157627 1002542721 /nfs/dbraw/zinc/54/27/21/1002542721.db2.gz QNUVFYAIYAOEEK-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CNCC1(O)CC[NH+](C)CC1 ZINC000499702120 1003051862 /nfs/dbraw/zinc/05/18/62/1003051862.db2.gz DGRAYGUXRUIBMW-UHFFFAOYSA-N 1 3 424.520 3.658 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508908399 1003348523 /nfs/dbraw/zinc/34/85/23/1003348523.db2.gz SIEJLVVCMLKVQS-QNWVGRARSA-N 1 3 400.611 3.975 20 0 HHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114968 1003476579 /nfs/dbraw/zinc/47/65/79/1003476579.db2.gz YTJPGFJHBREALZ-REHUZNOOSA-N 1 3 423.605 3.906 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)c(C)c2)CC1 ZINC000500240950 1003575229 /nfs/dbraw/zinc/57/52/29/1003575229.db2.gz CICQKXQPFPHKRJ-UHFFFAOYSA-N 1 3 415.626 3.723 20 0 HHADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)N1CCCCC1 ZINC000500444590 1003722922 /nfs/dbraw/zinc/72/29/22/1003722922.db2.gz VAQQVDWLIIXLBX-UNMCSNQZSA-N 1 3 401.595 3.513 20 0 HHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000500725670 1003923571 /nfs/dbraw/zinc/92/35/71/1003923571.db2.gz QSLNPGLTUAGOMG-FQEVSTJZSA-N 1 3 401.599 3.523 20 0 HHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000500725670 1003923576 /nfs/dbraw/zinc/92/35/76/1003923576.db2.gz QSLNPGLTUAGOMG-FQEVSTJZSA-N 1 3 401.599 3.523 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3OCc3ccncc3)CC2)C[C@H](C)O1 ZINC000512177012 1004079815 /nfs/dbraw/zinc/07/98/15/1004079815.db2.gz BXDWWDDUJCTJKK-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccccc3OCc3ccncc3)CC2)C[C@H](C)O1 ZINC000512177012 1004079821 /nfs/dbraw/zinc/07/98/21/1004079821.db2.gz BXDWWDDUJCTJKK-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccccc3OCc3cccnc3)CC2)C[C@H](C)O1 ZINC000512180541 1004082999 /nfs/dbraw/zinc/08/29/99/1004082999.db2.gz ANSROLWCIYRSKA-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3OCc3ccccn3)CC2)C[C@H](C)O1 ZINC000512188416 1004090220 /nfs/dbraw/zinc/09/02/20/1004090220.db2.gz YIAHCEXIYJFNKK-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccccc3OCc3ccccn3)CC2)C[C@H](C)O1 ZINC000512188416 1004090240 /nfs/dbraw/zinc/09/02/40/1004090240.db2.gz YIAHCEXIYJFNKK-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000501041403 1004142999 /nfs/dbraw/zinc/14/29/99/1004142999.db2.gz XRRHTDRNXUULFN-HXUWFJFHSA-N 1 3 420.601 3.986 20 0 HHADHO O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271581 1004172168 /nfs/dbraw/zinc/17/21/68/1004172168.db2.gz UWMZRXQSZYVOHY-BWKNWUBXSA-N 1 3 405.542 3.506 20 0 HHADHO O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271581 1004172171 /nfs/dbraw/zinc/17/21/71/1004172171.db2.gz UWMZRXQSZYVOHY-BWKNWUBXSA-N 1 3 405.542 3.506 20 0 HHADHO O[C@@H](COc1ccccc1Cl)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279228 1004180371 /nfs/dbraw/zinc/18/03/71/1004180371.db2.gz RVVYATSJDVNUNV-OFNKIYASSA-N 1 3 400.950 3.678 20 0 HHADHO O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279228 1004180380 /nfs/dbraw/zinc/18/03/80/1004180380.db2.gz RVVYATSJDVNUNV-OFNKIYASSA-N 1 3 400.950 3.678 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000509954580 1004229492 /nfs/dbraw/zinc/22/94/92/1004229492.db2.gz KDVXLAYZNRNNRI-UHFFFAOYSA-N 1 3 403.574 3.514 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172978 1004253621 /nfs/dbraw/zinc/25/36/21/1004253621.db2.gz JNSYTBJDUSLUMB-LEWJYISDSA-N 1 3 400.592 3.705 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172978 1004253627 /nfs/dbraw/zinc/25/36/27/1004253627.db2.gz JNSYTBJDUSLUMB-LEWJYISDSA-N 1 3 400.592 3.705 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501375359 1004375758 /nfs/dbraw/zinc/37/57/58/1004375758.db2.gz ALOJFCKPBFXUPO-OFNKIYASSA-N 1 3 400.611 3.635 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501375359 1004375769 /nfs/dbraw/zinc/37/57/69/1004375769.db2.gz ALOJFCKPBFXUPO-OFNKIYASSA-N 1 3 400.611 3.635 20 0 HHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622783 1004436339 /nfs/dbraw/zinc/43/63/39/1004436339.db2.gz CCGPEGZDGYFEKD-OYUWMTPXSA-N 1 3 419.613 3.909 20 0 HHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622783 1004436346 /nfs/dbraw/zinc/43/63/46/1004436346.db2.gz CCGPEGZDGYFEKD-OYUWMTPXSA-N 1 3 419.613 3.909 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634556 1004446816 /nfs/dbraw/zinc/44/68/16/1004446816.db2.gz DOCRSMKSXKJTKE-QLBJFCOMSA-N 1 3 421.585 3.544 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634556 1004446820 /nfs/dbraw/zinc/44/68/20/1004446820.db2.gz DOCRSMKSXKJTKE-QLBJFCOMSA-N 1 3 421.585 3.544 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CC2)nc(C)n1 ZINC000512646886 1004458269 /nfs/dbraw/zinc/45/82/69/1004458269.db2.gz DXVFLLNVKUKELA-QLBJFCOMSA-N 1 3 419.617 3.953 20 0 HHADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512661847 1004472864 /nfs/dbraw/zinc/47/28/64/1004472864.db2.gz USGQVUBHTVRHEZ-RJGXRXQPSA-N 1 3 419.569 3.692 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708690 1004508878 /nfs/dbraw/zinc/50/88/78/1004508878.db2.gz VFRDRIZOWYCNBF-FUPPJEDESA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708690 1004508879 /nfs/dbraw/zinc/50/88/79/1004508879.db2.gz VFRDRIZOWYCNBF-FUPPJEDESA-N 1 3 412.622 3.945 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](CC)CC)cc2)CC1 ZINC000510378592 1004522132 /nfs/dbraw/zinc/52/21/32/1004522132.db2.gz OXEKBXYCPNGCHW-RUZDIDTESA-N 1 3 422.617 3.511 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525341 1004654549 /nfs/dbraw/zinc/65/45/49/1004654549.db2.gz MWAPZZQVBROGHV-AAIMPIBUSA-N 1 3 400.611 3.804 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525341 1004654560 /nfs/dbraw/zinc/65/45/60/1004654560.db2.gz MWAPZZQVBROGHV-AAIMPIBUSA-N 1 3 400.611 3.804 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000512906721 1004676458 /nfs/dbraw/zinc/67/64/58/1004676458.db2.gz IFZCXNXUHFTVEJ-HSZRJFAPSA-N 1 3 416.610 3.594 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501823776 1004759309 /nfs/dbraw/zinc/75/93/09/1004759309.db2.gz GQMUHIXPHVUECL-FUPPJEDESA-N 1 3 400.611 3.881 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000501823776 1004759310 /nfs/dbraw/zinc/75/93/10/1004759310.db2.gz GQMUHIXPHVUECL-FUPPJEDESA-N 1 3 400.611 3.881 20 0 HHADHO Cc1nn(-c2ccccc2)cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000513092771 1004801202 /nfs/dbraw/zinc/80/12/02/1004801202.db2.gz RHMWRLNOXQSBAY-UHFFFAOYSA-N 1 3 417.601 3.868 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000513346428 1004921512 /nfs/dbraw/zinc/92/15/12/1004921512.db2.gz VBQOLSVKAFZSAB-GGAORHGYSA-N 1 3 400.611 3.615 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000513356787 1004924826 /nfs/dbraw/zinc/92/48/26/1004924826.db2.gz IHLQCMPYQVUPHN-WMZHIEFXSA-N 1 3 402.627 3.860 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000513397652 1004943053 /nfs/dbraw/zinc/94/30/53/1004943053.db2.gz MTDIWJOTHZXMKC-RTWAWAEBSA-N 1 3 405.533 3.621 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000513449680 1004971898 /nfs/dbraw/zinc/97/18/98/1004971898.db2.gz ZKBQZKNQHFGMKK-LAUBAEHRSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000513449680 1004971902 /nfs/dbraw/zinc/97/19/02/1004971902.db2.gz ZKBQZKNQHFGMKK-LAUBAEHRSA-N 1 3 401.348 3.793 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250502 1005091125 /nfs/dbraw/zinc/09/11/25/1005091125.db2.gz NKQJUYCEBXQKRL-IRLDBZIGSA-N 1 3 400.611 3.721 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250502 1005091130 /nfs/dbraw/zinc/09/11/30/1005091130.db2.gz NKQJUYCEBXQKRL-IRLDBZIGSA-N 1 3 400.611 3.721 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250505 1005091146 /nfs/dbraw/zinc/09/11/46/1005091146.db2.gz NKQJUYCEBXQKRL-UNMCSNQZSA-N 1 3 400.611 3.721 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250505 1005091154 /nfs/dbraw/zinc/09/11/54/1005091154.db2.gz NKQJUYCEBXQKRL-UNMCSNQZSA-N 1 3 400.611 3.721 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267526 1005098599 /nfs/dbraw/zinc/09/85/99/1005098599.db2.gz IWNNZVORNUTGHO-UYAOXDASSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267526 1005098606 /nfs/dbraw/zinc/09/86/06/1005098606.db2.gz IWNNZVORNUTGHO-UYAOXDASSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309473 1005119201 /nfs/dbraw/zinc/11/92/01/1005119201.db2.gz ROGPGFFSLFBEPV-GGAORHGYSA-N 1 3 414.638 3.845 20 0 HHADHO C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309473 1005119206 /nfs/dbraw/zinc/11/92/06/1005119206.db2.gz ROGPGFFSLFBEPV-GGAORHGYSA-N 1 3 414.638 3.845 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000502801622 1005223850 /nfs/dbraw/zinc/22/38/50/1005223850.db2.gz ILIAYZULEIRTRJ-UHFFFAOYSA-N 1 3 400.611 3.635 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N2CCCC2)cc1 ZINC000502831026 1005236430 /nfs/dbraw/zinc/23/64/30/1005236430.db2.gz PRFVACMHTGNCPJ-QHCPKHFHSA-N 1 3 416.610 3.643 20 0 HHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086549 1005259412 /nfs/dbraw/zinc/25/94/12/1005259412.db2.gz BEYQFDZQSZNIMS-HVXMAHFMSA-N 1 3 409.977 3.703 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)[NH+](C)C)cc1 ZINC000514175782 1005299208 /nfs/dbraw/zinc/29/92/08/1005299208.db2.gz FTPVIYVBSUOWCL-UXHICEINSA-N 1 3 400.592 3.796 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174511 1005566820 /nfs/dbraw/zinc/56/68/20/1005566820.db2.gz AEOFQZMZCHSEKT-QPPBQGQZSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174511 1005566821 /nfs/dbraw/zinc/56/68/21/1005566821.db2.gz AEOFQZMZCHSEKT-QPPBQGQZSA-N 1 3 406.574 3.739 20 0 HHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000531204103 1006044876 /nfs/dbraw/zinc/04/48/76/1006044876.db2.gz LYMJCNBNSHUTNN-OAQYLSRUSA-N 1 3 406.574 3.729 20 0 HHADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)CC1 ZINC000534408909 1006384450 /nfs/dbraw/zinc/38/44/50/1006384450.db2.gz FBBHZMWNRFFNTQ-RBBKRZOGSA-N 1 3 423.523 3.631 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015409 1006577230 /nfs/dbraw/zinc/57/72/30/1006577230.db2.gz FVOAUDAWAFMPPF-LEWJYISDSA-N 1 3 416.587 3.803 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)N(C)C)cc1 ZINC000515842072 1006712603 /nfs/dbraw/zinc/71/26/03/1006712603.db2.gz SHTJALNCQJVUHF-QHCPKHFHSA-N 1 3 414.569 3.764 20 0 HHADHO COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532225489 1006733315 /nfs/dbraw/zinc/73/33/15/1006733315.db2.gz XXNKJCKHMKENPH-ZJSXRUAMSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532225489 1006733321 /nfs/dbraw/zinc/73/33/21/1006733321.db2.gz XXNKJCKHMKENPH-ZJSXRUAMSA-N 1 3 407.558 3.560 20 0 HHADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269717 1006759066 /nfs/dbraw/zinc/75/90/66/1006759066.db2.gz SQQYAWFWZJGONC-UXHICEINSA-N 1 3 422.495 3.749 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000532296053 1006778462 /nfs/dbraw/zinc/77/84/62/1006778462.db2.gz RUCFDDMAXGNGJE-JOCHJYFZSA-N 1 3 422.617 3.843 20 0 HHADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000532373972 1006830029 /nfs/dbraw/zinc/83/00/29/1006830029.db2.gz JLAHFHQXSVNOJG-UHFFFAOYSA-N 1 3 403.954 3.639 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333300 1007023465 /nfs/dbraw/zinc/02/34/65/1007023465.db2.gz PPNVWFLDAGEPAU-UPVQGACJSA-N 1 3 424.589 3.502 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089649 1007103042 /nfs/dbraw/zinc/10/30/42/1007103042.db2.gz STPMTWGKKNIADQ-ICDZXHCJSA-N 1 3 421.585 3.641 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H](C[C@@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089649 1007103049 /nfs/dbraw/zinc/10/30/49/1007103049.db2.gz STPMTWGKKNIADQ-ICDZXHCJSA-N 1 3 421.585 3.641 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058971 1007352963 /nfs/dbraw/zinc/35/29/63/1007352963.db2.gz BABDVQJLRMRJEZ-GNOCETLISA-N 1 3 417.500 3.528 20 0 HHADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000517226232 1007512180 /nfs/dbraw/zinc/51/21/80/1007512180.db2.gz HCDMAMQYBHOLKK-ZNZIZOMTSA-N 1 3 406.618 3.790 20 0 HHADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000517659609 1007871930 /nfs/dbraw/zinc/87/19/30/1007871930.db2.gz WWISGYUNCFVPFG-QFIPXVFZSA-N 1 3 410.562 3.803 20 0 HHADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628810 1007945613 /nfs/dbraw/zinc/94/56/13/1007945613.db2.gz VSSQWIGXXVRTOT-LVXARBLLSA-N 1 3 419.617 3.936 20 0 HHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884056 1008028590 /nfs/dbraw/zinc/02/85/90/1008028590.db2.gz XPEWMOYKTXBXTH-UXHICEINSA-N 1 3 406.640 3.941 20 0 HHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884056 1008028598 /nfs/dbraw/zinc/02/85/98/1008028598.db2.gz XPEWMOYKTXBXTH-UXHICEINSA-N 1 3 406.640 3.941 20 0 HHADHO CN1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000533893436 1008186940 /nfs/dbraw/zinc/18/69/40/1008186940.db2.gz WMZXCTFGGUXMOZ-VXKWHMMOSA-N 1 3 412.603 3.705 20 0 HHADHO C[C@@H](C(=O)NCc1ccccc1Cl)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044088 1008253218 /nfs/dbraw/zinc/25/32/18/1008253218.db2.gz PXOBLBURDWLRLL-SFHVURJKSA-N 1 3 414.981 3.978 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000540171896 1008321628 /nfs/dbraw/zinc/32/16/28/1008321628.db2.gz GLINUQJUWBDNGF-IKGGRYGDSA-N 1 3 415.500 3.902 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000540172246 1008321744 /nfs/dbraw/zinc/32/17/44/1008321744.db2.gz VTYSJLLPQXYXPJ-MRXNPFEDSA-N 1 3 423.586 3.656 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000540187190 1008327642 /nfs/dbraw/zinc/32/76/42/1008327642.db2.gz VENOIAZNMUURIQ-DENIHFKCSA-N 1 3 402.579 3.804 20 0 HHADHO Cc1c([C@H](C)NCCc2ccc(OCC[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC000540396676 1008415653 /nfs/dbraw/zinc/41/56/53/1008415653.db2.gz AOBOOMPWPKLEIN-FQEVSTJZSA-N 1 3 419.573 3.944 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468381 1008443153 /nfs/dbraw/zinc/44/31/53/1008443153.db2.gz NHMKHKBFFBZPOY-BJKOFHAPSA-N 1 3 421.585 3.638 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1cc(F)cc3c1OCOC3)c1ccccc1O2 ZINC000540495717 1008455447 /nfs/dbraw/zinc/45/54/47/1008455447.db2.gz GJGJLVBSLUECSV-NRFANRHFSA-N 1 3 412.505 3.813 20 0 HHADHO COc1cccc2c1CCC[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862932 1009039435 /nfs/dbraw/zinc/03/94/35/1009039435.db2.gz JEAAZKMLSRZTJV-REWPJTCUSA-N 1 3 407.558 3.560 20 0 HHADHO COc1cccc2c1CCC[C@@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862932 1009039438 /nfs/dbraw/zinc/03/94/38/1009039438.db2.gz JEAAZKMLSRZTJV-REWPJTCUSA-N 1 3 407.558 3.560 20 0 HHADHO COc1cccc2c1CCC[C@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862929 1009040229 /nfs/dbraw/zinc/04/02/29/1009040229.db2.gz JEAAZKMLSRZTJV-NZQKXSOJSA-N 1 3 407.558 3.560 20 0 HHADHO COc1cccc2c1CCC[C@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000519862929 1009040248 /nfs/dbraw/zinc/04/02/48/1009040248.db2.gz JEAAZKMLSRZTJV-NZQKXSOJSA-N 1 3 407.558 3.560 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453471 1009044340 /nfs/dbraw/zinc/04/43/40/1009044340.db2.gz CKSUFZBWSHCMFO-SFTDATJTSA-N 1 3 400.954 3.516 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453471 1009044356 /nfs/dbraw/zinc/04/43/56/1009044356.db2.gz CKSUFZBWSHCMFO-SFTDATJTSA-N 1 3 400.954 3.516 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520111932 1009268193 /nfs/dbraw/zinc/26/81/93/1009268193.db2.gz MMKWHELHIVQRSA-VWPQPMDRSA-N 1 3 403.586 3.912 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520111932 1009268206 /nfs/dbraw/zinc/26/82/06/1009268206.db2.gz MMKWHELHIVQRSA-VWPQPMDRSA-N 1 3 403.586 3.912 20 0 HHADHO c1cnn(-c2ccc(CNC[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262862 1009814135 /nfs/dbraw/zinc/81/41/35/1009814135.db2.gz APRAMHDLGAUDTH-DEOSSOPVSA-N 1 3 416.569 3.891 20 0 HHADHO c1cnn(-c2ccc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262862 1009814150 /nfs/dbraw/zinc/81/41/50/1009814150.db2.gz APRAMHDLGAUDTH-DEOSSOPVSA-N 1 3 416.569 3.891 20 0 HHADHO CC(C)N1CCN(CCC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CC1 ZINC000550409732 1009916974 /nfs/dbraw/zinc/91/69/74/1009916974.db2.gz XHBKUEUCUSVJPA-UHFFFAOYSA-N 1 3 411.993 3.577 20 0 HHADHO CC1(C(=O)NCC2(N3CCSCC3)CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000544370553 1009999001 /nfs/dbraw/zinc/99/90/01/1009999001.db2.gz GXOVPUFXQZJFIA-UHFFFAOYSA-N 1 3 415.647 3.767 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117403 1010138526 /nfs/dbraw/zinc/13/85/26/1010138526.db2.gz ODWBUGNQUYPFAS-ROUUACIJSA-N 1 3 410.389 3.772 20 0 HHADHO CCCOc1c(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cccc1OCC ZINC000544595160 1010221527 /nfs/dbraw/zinc/22/15/27/1010221527.db2.gz QDQGSODKBQGHGZ-UHFFFAOYSA-N 1 3 403.611 3.724 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092686 1010361440 /nfs/dbraw/zinc/36/14/40/1010361440.db2.gz ACYALJMOCGXOQB-SIKLNZKXSA-N 1 3 404.558 3.530 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092686 1010361455 /nfs/dbraw/zinc/36/14/55/1010361455.db2.gz ACYALJMOCGXOQB-SIKLNZKXSA-N 1 3 404.558 3.530 20 0 HHADHO CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548441713 1010628053 /nfs/dbraw/zinc/62/80/53/1010628053.db2.gz MQCFVPGTKFKVKO-RUZDIDTESA-N 1 3 420.601 3.957 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303003 1011493010 /nfs/dbraw/zinc/49/30/10/1011493010.db2.gz RLOGSXJCOZCSIF-UGSOOPFHSA-N 1 3 400.792 3.705 20 0 HHADHO CCCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523134275 1011603476 /nfs/dbraw/zinc/60/34/76/1011603476.db2.gz WQUXBZLCXLTWNG-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486621 1011699472 /nfs/dbraw/zinc/69/94/72/1011699472.db2.gz SLYVXGQGTAXTBO-JOCHJYFZSA-N 1 3 417.597 3.948 20 0 HHADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486621 1011699484 /nfs/dbraw/zinc/69/94/84/1011699484.db2.gz SLYVXGQGTAXTBO-JOCHJYFZSA-N 1 3 417.597 3.948 20 0 HHADHO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724939 1011896423 /nfs/dbraw/zinc/89/64/23/1011896423.db2.gz XIJVAYLLIATETK-CVDCTZTESA-N 1 3 422.573 3.648 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032934 1012057584 /nfs/dbraw/zinc/05/75/84/1012057584.db2.gz CYAKTGTVYDLBDL-PZUNEJSGSA-N 1 3 421.585 3.592 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032934 1012057601 /nfs/dbraw/zinc/05/76/01/1012057601.db2.gz CYAKTGTVYDLBDL-PZUNEJSGSA-N 1 3 421.585 3.592 20 0 HHADHO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000552054894 1012073605 /nfs/dbraw/zinc/07/36/05/1012073605.db2.gz RXNIIWXYTMTWHC-NEWJYFPISA-N 1 3 407.606 3.669 20 0 HHADHO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000552054893 1012073720 /nfs/dbraw/zinc/07/37/20/1012073720.db2.gz RXNIIWXYTMTWHC-NAVOZUGXSA-N 1 3 407.606 3.669 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1I ZINC000536855971 1012088275 /nfs/dbraw/zinc/08/82/75/1012088275.db2.gz DAAWMXWAPNAVGM-OAGGEKHMSA-N 1 3 416.347 3.831 20 0 HHADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)N(C)C ZINC000537168062 1012570735 /nfs/dbraw/zinc/57/07/35/1012570735.db2.gz UAILAMPFDIABEF-YADHBBJMSA-N 1 3 409.574 3.876 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCc1ccc3c(c1)OCCO3)c1ccccc1O2 ZINC000537192281 1012605149 /nfs/dbraw/zinc/60/51/49/1012605149.db2.gz XOQBQPRIFKYXHU-OAQYLSRUSA-N 1 3 408.542 3.968 20 0 HHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c(C)c1C ZINC000552954087 1012940093 /nfs/dbraw/zinc/94/00/93/1012940093.db2.gz VHZZOVUVNHAKDV-FGZHOGPDSA-N 1 3 414.594 3.929 20 0 HHADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCC)c(C)c1C ZINC000552954087 1012940105 /nfs/dbraw/zinc/94/01/05/1012940105.db2.gz VHZZOVUVNHAKDV-FGZHOGPDSA-N 1 3 414.594 3.929 20 0 HHADHO C[NH+](C)C1CCC(n2cncc2C[C@H](N)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001168305693 1072477158 /nfs/dbraw/zinc/47/71/58/1072477158.db2.gz KIKZBXYGMZMWMY-BBHUYCHWSA-N 1 3 405.546 3.590 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000586857402 1072478484 /nfs/dbraw/zinc/47/84/84/1072478484.db2.gz NLUFRSJTFYNHNS-OAHLLOKOSA-N 1 3 412.500 3.624 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nccc2ccccc21 ZINC000554981502 1073040344 /nfs/dbraw/zinc/04/03/44/1073040344.db2.gz BMMJIZWHBGLTCV-IBGZPJMESA-N 1 3 402.542 3.911 20 0 HHADHO C[C@@H]1C[C@H](N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249912 1073279340 /nfs/dbraw/zinc/27/93/40/1073279340.db2.gz OCZXKHYTEBXNOP-DNRSQYFGSA-N 1 3 406.618 3.618 20 0 HHADHO C[C@@H]1C[C@H](N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249912 1073279347 /nfs/dbraw/zinc/27/93/47/1073279347.db2.gz OCZXKHYTEBXNOP-DNRSQYFGSA-N 1 3 406.618 3.618 20 0 HHADHO O=C(CN[C@H](Cc1ccccc1Cl)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000573032931 1074067019 /nfs/dbraw/zinc/06/70/19/1074067019.db2.gz HQOWKSZFSWPYNN-HSZRJFAPSA-N 1 3 411.977 3.956 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N(c3ccccc3)C3CC[NH+](C)CC3)cc2)CC1 ZINC000601958263 1075676570 /nfs/dbraw/zinc/67/65/70/1075676570.db2.gz UDHAWZHMQWTYTA-UHFFFAOYSA-N 1 3 420.601 3.958 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000303153169 971530970 /nfs/dbraw/zinc/53/09/70/971530970.db2.gz SZMDZVMSZJAQBX-QGZVFWFLSA-N 1 3 404.580 3.508 20 0 HHADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)Cc1ccccc1 ZINC000303451305 971751168 /nfs/dbraw/zinc/75/11/68/971751168.db2.gz IQLHWWTUXUDITK-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Oc4cc(C)[nH]n4)cc3)CC2)CC1 ZINC000553187888 1013147249 /nfs/dbraw/zinc/14/72/49/1013147249.db2.gz SWLHTTKGMLQVAI-UHFFFAOYSA-N 1 3 411.550 3.645 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621866 1013166837 /nfs/dbraw/zinc/16/68/37/1013166837.db2.gz GPCDMCTXVDAXAQ-NLFFAJNJSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621866 1013166847 /nfs/dbraw/zinc/16/68/47/1013166847.db2.gz GPCDMCTXVDAXAQ-NLFFAJNJSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621863 1013167844 /nfs/dbraw/zinc/16/78/44/1013167844.db2.gz GPCDMCTXVDAXAQ-CPJSRVTESA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621863 1013167857 /nfs/dbraw/zinc/16/78/57/1013167857.db2.gz GPCDMCTXVDAXAQ-CPJSRVTESA-N 1 3 411.565 3.863 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(Oc4ccccc4)nc3)CC2)CC1 ZINC000553419310 1013340881 /nfs/dbraw/zinc/34/08/81/1013340881.db2.gz QDORUTFXGLSYLM-UHFFFAOYSA-N 1 3 422.573 3.686 20 0 HHADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537840043 1013401376 /nfs/dbraw/zinc/40/13/76/1013401376.db2.gz APAKPDLLVYUJGU-IBGZPJMESA-N 1 3 412.553 3.806 20 0 HHADHO CC(C)(CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000024744157 964062292 /nfs/dbraw/zinc/06/22/92/964062292.db2.gz XNWSDRVTCOOWCA-UHFFFAOYSA-N 1 3 420.601 3.787 20 0 HHADHO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797746 964400360 /nfs/dbraw/zinc/40/03/60/964400360.db2.gz QGUFFCIHKKPUDR-LJQANCHMSA-N 1 3 401.595 3.561 20 0 HHADHO CCCCCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801821 964401258 /nfs/dbraw/zinc/40/12/58/964401258.db2.gz ZLGSMAZTDUFZGA-UHFFFAOYSA-N 1 3 401.595 3.934 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)CC1 ZINC000051759685 964689158 /nfs/dbraw/zinc/68/91/58/964689158.db2.gz UOBFJLRUOTWEGU-OAQYLSRUSA-N 1 3 404.986 3.649 20 0 HHADHO COc1c(Br)cc(C[NH2+]CC(C)(C)CN(C)C)cc1Br ZINC000036324998 966430940 /nfs/dbraw/zinc/43/09/40/966430940.db2.gz LDMILIGSCVHLKG-UHFFFAOYSA-N 1 3 408.178 3.898 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000061868926 966568438 /nfs/dbraw/zinc/56/84/38/966568438.db2.gz KZDIXQJRTVYUBI-DEOSSOPVSA-N 1 3 408.590 3.991 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000061868926 966568443 /nfs/dbraw/zinc/56/84/43/966568443.db2.gz KZDIXQJRTVYUBI-DEOSSOPVSA-N 1 3 408.590 3.991 20 0 HHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000538102627 1013670183 /nfs/dbraw/zinc/67/01/83/1013670183.db2.gz MNODIZMVBBRVAG-INIZCTEOSA-N 1 3 421.994 3.550 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464181 966867344 /nfs/dbraw/zinc/86/73/44/966867344.db2.gz XPOMVCOWRZTGTN-QHCPKHFHSA-N 1 3 420.601 3.646 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464181 966867349 /nfs/dbraw/zinc/86/73/49/966867349.db2.gz XPOMVCOWRZTGTN-QHCPKHFHSA-N 1 3 420.601 3.646 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043238804 966934079 /nfs/dbraw/zinc/93/40/79/966934079.db2.gz YPANLCNQQZNQCU-XMMPIXPASA-N 1 3 406.574 3.533 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000064229354 967094959 /nfs/dbraw/zinc/09/49/59/967094959.db2.gz WHJFELMUPKZYAU-UHFFFAOYSA-N 1 3 418.532 3.690 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000064229354 967094970 /nfs/dbraw/zinc/09/49/70/967094970.db2.gz WHJFELMUPKZYAU-UHFFFAOYSA-N 1 3 418.532 3.690 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850560 1013709145 /nfs/dbraw/zinc/70/91/45/1013709145.db2.gz YXNMFGGSOLTCPQ-UWJYYQICSA-N 1 3 419.338 3.932 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850560 1013709153 /nfs/dbraw/zinc/70/91/53/1013709153.db2.gz YXNMFGGSOLTCPQ-UWJYYQICSA-N 1 3 419.338 3.932 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)N(C)C)cc1 ZINC000065468474 967482330 /nfs/dbraw/zinc/48/23/30/967482330.db2.gz OLBJJKHDJKCWGU-QFIPXVFZSA-N 1 3 400.542 3.510 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)N(C)C)cc1 ZINC000065469914 967482461 /nfs/dbraw/zinc/48/24/61/967482461.db2.gz CPXJVFBUUTWUJH-DEOSSOPVSA-N 1 3 408.590 3.824 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)N(C)C)cc1 ZINC000065469914 967482469 /nfs/dbraw/zinc/48/24/69/967482469.db2.gz CPXJVFBUUTWUJH-DEOSSOPVSA-N 1 3 408.590 3.824 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1cnn(-c3ccccc3)c1)c1ccccc1O2 ZINC000538274625 1013813944 /nfs/dbraw/zinc/81/39/44/1013813944.db2.gz UNWNITDLYFYNOJ-HSZRJFAPSA-N 1 3 402.542 3.993 20 0 HHADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000066037590 968778013 /nfs/dbraw/zinc/77/80/13/968778013.db2.gz MLDMODVPPQVTMJ-XMMPIXPASA-N 1 3 412.622 3.995 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297548 1013832897 /nfs/dbraw/zinc/83/28/97/1013832897.db2.gz VECSQURACQLEPZ-AUSIDOKSSA-N 1 3 405.542 3.649 20 0 HHADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)cc2)CC1 ZINC000109897738 969589031 /nfs/dbraw/zinc/58/90/31/969589031.db2.gz ASRKABAWYUXGIU-XMMPIXPASA-N 1 3 420.601 3.611 20 0 HHADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152492 969629986 /nfs/dbraw/zinc/62/99/86/969629986.db2.gz LXSOISMOVMSBSX-RXVVDRJESA-N 1 3 411.512 3.678 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000110434129 969667594 /nfs/dbraw/zinc/66/75/94/969667594.db2.gz XJVJQAHNNWYYKM-HOTGVXAUSA-N 1 3 411.949 3.629 20 0 HHADHO CC(C)Oc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000215981789 970058519 /nfs/dbraw/zinc/05/85/19/970058519.db2.gz MQEMROXGYHVPET-UHFFFAOYSA-N 1 3 408.974 3.807 20 0 HHADHO C[N@H+](CCOc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1)C1CCOCC1 ZINC000237205076 970241116 /nfs/dbraw/zinc/24/11/16/970241116.db2.gz JRSHNHMIWXPPTQ-UHFFFAOYSA-N 1 3 420.557 3.856 20 0 HHADHO C[N@@H+](CCOc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1)C1CCOCC1 ZINC000237205076 970241125 /nfs/dbraw/zinc/24/11/25/970241125.db2.gz JRSHNHMIWXPPTQ-UHFFFAOYSA-N 1 3 420.557 3.856 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C[C@H](C)O1 ZINC000237608298 970321001 /nfs/dbraw/zinc/32/10/01/970321001.db2.gz NYZFPTUFOOFGNT-LVCYWYKZSA-N 1 3 410.986 3.877 20 0 HHADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195606774 970548446 /nfs/dbraw/zinc/54/84/46/970548446.db2.gz WAANTTQRXPERKN-RPWUZVMVSA-N 1 3 406.574 3.787 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)(N2CCCCC2)CC1 ZINC000303970496 972557666 /nfs/dbraw/zinc/55/76/66/972557666.db2.gz SHXNUNAVZLSZTC-IAGOWNOFSA-N 1 3 407.961 3.649 20 0 HHADHO CCOc1c(Br)cc(Br)cc1CNCC1=CC[N@H+](C)CC1 ZINC000392288444 972851370 /nfs/dbraw/zinc/85/13/70/972851370.db2.gz LUZBJKQGORONHA-UHFFFAOYSA-N 1 3 418.173 3.962 20 0 HHADHO CCOc1c(Br)cc(Br)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000392288444 972851380 /nfs/dbraw/zinc/85/13/80/972851380.db2.gz LUZBJKQGORONHA-UHFFFAOYSA-N 1 3 418.173 3.962 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000410333545 973910082 /nfs/dbraw/zinc/91/00/82/973910082.db2.gz SLFIKGFNHVIQJK-RUZDIDTESA-N 1 3 420.601 3.923 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@@H](C)O1 ZINC000426785337 974657537 /nfs/dbraw/zinc/65/75/37/974657537.db2.gz PGECZJNAIZYDRV-QZTJIDSGSA-N 1 3 418.607 3.942 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000426785334 974657604 /nfs/dbraw/zinc/65/76/04/974657604.db2.gz PGECZJNAIZYDRV-HDICACEKSA-N 1 3 418.607 3.942 20 0 HHADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ncc(Br)cc1F ZINC000427720552 975252266 /nfs/dbraw/zinc/25/22/66/975252266.db2.gz NWIRJDAVSAQBFG-OAHLLOKOSA-N 1 3 413.379 3.584 20 0 HHADHO CC1CCN([C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000428112774 975444513 /nfs/dbraw/zinc/44/45/13/975444513.db2.gz AYXKYIXLKFJTAO-FQEVSTJZSA-N 1 3 404.624 3.695 20 0 HHADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003076 976282737 /nfs/dbraw/zinc/28/27/37/976282737.db2.gz CVOUWLNZOBCDPP-JYFHCDHNSA-N 1 3 408.586 3.780 20 0 HHADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003076 976282746 /nfs/dbraw/zinc/28/27/46/976282746.db2.gz CVOUWLNZOBCDPP-JYFHCDHNSA-N 1 3 408.586 3.780 20 0 HHADHO Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000429602756 976883876 /nfs/dbraw/zinc/88/38/76/976883876.db2.gz QCEUHIIONFIENQ-FGZHOGPDSA-N 1 3 424.593 3.587 20 0 HHADHO C[NH+]1CCN(c2cc(CNCc3cc(Cl)ccc3OCC3CC3)ccn2)CC1 ZINC000430020835 977276626 /nfs/dbraw/zinc/27/66/26/977276626.db2.gz PSFHOHVUFHASSA-UHFFFAOYSA-N 1 3 400.954 3.565 20 0 HHADHO CN1CCN(c2cc(C[NH2+]Cc3cc(Cl)ccc3OCC3CC3)ccn2)CC1 ZINC000430020835 977276631 /nfs/dbraw/zinc/27/66/31/977276631.db2.gz PSFHOHVUFHASSA-UHFFFAOYSA-N 1 3 400.954 3.565 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879567 977845375 /nfs/dbraw/zinc/84/53/75/977845375.db2.gz UBZTWFJSZWVUCW-HSZRJFAPSA-N 1 3 420.601 3.704 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879567 977845387 /nfs/dbraw/zinc/84/53/87/977845387.db2.gz UBZTWFJSZWVUCW-HSZRJFAPSA-N 1 3 420.601 3.704 20 0 HHADHO O=c1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccc(Cl)cn12 ZINC000433192025 979131533 /nfs/dbraw/zinc/13/15/33/979131533.db2.gz JBLWEPTWYDHTCV-UHFFFAOYSA-N 1 3 422.960 3.836 20 0 HHADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433386266 979267707 /nfs/dbraw/zinc/26/77/07/979267707.db2.gz HNRMAWTYLCTPAB-JQVVWYNYSA-N 1 3 420.569 3.925 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000434322473 980085779 /nfs/dbraw/zinc/08/57/79/980085779.db2.gz VTWOPRRZAGCDKE-HSZRJFAPSA-N 1 3 417.557 3.952 20 0 HHADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000435525106 980919664 /nfs/dbraw/zinc/91/96/64/980919664.db2.gz HWVMTDVBQRFHFG-FCHUYYIVSA-N 1 3 424.593 3.587 20 0 HHADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435532018 980924850 /nfs/dbraw/zinc/92/48/50/980924850.db2.gz CVYSDTRZCMBWEA-VXKWHMMOSA-N 1 3 424.593 3.587 20 0 HHADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435532018 980924855 /nfs/dbraw/zinc/92/48/55/980924855.db2.gz CVYSDTRZCMBWEA-VXKWHMMOSA-N 1 3 424.593 3.587 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000448475493 981818114 /nfs/dbraw/zinc/81/81/14/981818114.db2.gz TZOQYIXHENWVGO-FQEVSTJZSA-N 1 3 409.018 3.781 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000448475493 981818122 /nfs/dbraw/zinc/81/81/22/981818122.db2.gz TZOQYIXHENWVGO-FQEVSTJZSA-N 1 3 409.018 3.781 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000460363378 982138297 /nfs/dbraw/zinc/13/82/97/982138297.db2.gz IGMKJBFYFZCXGM-ACWUQQCTSA-N 1 3 405.586 3.924 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000460363380 982138613 /nfs/dbraw/zinc/13/86/13/982138613.db2.gz IGMKJBFYFZCXGM-SFTDATJTSA-N 1 3 405.586 3.924 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)(N2CCCCC2)CC1 ZINC000460503925 982292634 /nfs/dbraw/zinc/29/26/34/982292634.db2.gz NARWALKVFZVMEO-UXHICEINSA-N 1 3 423.523 3.875 20 0 HHADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000438106206 982592145 /nfs/dbraw/zinc/59/21/45/982592145.db2.gz SFIDAPTUQYZLMD-OAQYLSRUSA-N 1 3 404.624 3.616 20 0 HHADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000438106206 982592155 /nfs/dbraw/zinc/59/21/55/982592155.db2.gz SFIDAPTUQYZLMD-OAQYLSRUSA-N 1 3 404.624 3.616 20 0 HHADHO CC[NH+]1CCC(CCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000461226598 982936512 /nfs/dbraw/zinc/93/65/12/982936512.db2.gz AQCBDPDOORZASR-OAQYLSRUSA-N 1 3 411.512 3.679 20 0 HHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865649 983130303 /nfs/dbraw/zinc/13/03/03/983130303.db2.gz RZHPEHZIJSNONN-PMACEKPBSA-N 1 3 415.626 3.807 20 0 HHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865649 983130308 /nfs/dbraw/zinc/13/03/08/983130308.db2.gz RZHPEHZIJSNONN-PMACEKPBSA-N 1 3 415.626 3.807 20 0 HHADHO CC(C)[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970123 983186220 /nfs/dbraw/zinc/18/62/20/983186220.db2.gz UOIQFTMXMNJELS-NZQKXSOJSA-N 1 3 415.626 3.663 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974875 983189291 /nfs/dbraw/zinc/18/92/91/983189291.db2.gz PQHPOOUCGKVHHK-RDPSFJRHSA-N 1 3 423.605 3.989 20 0 HHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000440187069 983675205 /nfs/dbraw/zinc/67/52/05/983675205.db2.gz LKRIVDRUSKTLQV-HXUWFJFHSA-N 1 3 403.615 3.616 20 0 HHADHO CCCN1CCC([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000461798936 984786084 /nfs/dbraw/zinc/78/60/84/984786084.db2.gz UYESQUIRALVDRB-UHFFFAOYSA-N 1 3 412.544 3.682 20 0 HHADHO COCCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000442871885 985253145 /nfs/dbraw/zinc/25/31/45/985253145.db2.gz IPYNETYQDCCLOB-LJQANCHMSA-N 1 3 412.416 3.532 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015028 985970649 /nfs/dbraw/zinc/97/06/49/985970649.db2.gz WVCALXBYRHGVMC-SDUSCBPUSA-N 1 3 420.601 3.670 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015028 985970663 /nfs/dbraw/zinc/97/06/63/985970663.db2.gz WVCALXBYRHGVMC-SDUSCBPUSA-N 1 3 420.601 3.670 20 0 HHADHO C[C@@H]1C[C@H](NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133610 986100217 /nfs/dbraw/zinc/10/02/17/986100217.db2.gz USTMDCSCQUSHPS-NIJXNBFTSA-N 1 3 411.565 3.842 20 0 HHADHO C[C@@H]1C[C@H](NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133610 986100222 /nfs/dbraw/zinc/10/02/22/986100222.db2.gz USTMDCSCQUSHPS-NIJXNBFTSA-N 1 3 411.565 3.842 20 0 HHADHO c1ccc(CN2CCO[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000463296742 986264282 /nfs/dbraw/zinc/26/42/82/986264282.db2.gz GGXINKXOSITPMG-VGPBXHGJSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(CN2CCO[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000463296742 986264294 /nfs/dbraw/zinc/26/42/94/986264294.db2.gz GGXINKXOSITPMG-VGPBXHGJSA-N 1 3 405.586 3.673 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000469758327 987412109 /nfs/dbraw/zinc/41/21/09/987412109.db2.gz QJRXNRANFPAOSX-SFTDATJTSA-N 1 3 405.586 3.581 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000469759302 987412801 /nfs/dbraw/zinc/41/28/01/987412801.db2.gz XZOSCLLMCVECPY-FKPGQJDZSA-N 1 3 411.512 3.534 20 0 HHADHO Cc1ccc(CN(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000469764080 987416281 /nfs/dbraw/zinc/41/62/81/987416281.db2.gz NGBRUXDMAXTJRN-XMZFGDCGSA-N 1 3 409.574 3.825 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000469766077 987418666 /nfs/dbraw/zinc/41/86/66/987418666.db2.gz WCPTVYCRAZECNZ-ZZYHAFTGSA-N 1 3 405.586 3.928 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000470491816 988483384 /nfs/dbraw/zinc/48/33/84/988483384.db2.gz AVUJCROVLAQBKN-IBGZPJMESA-N 1 3 421.589 3.667 20 0 HHADHO C[C@@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470520146 988519716 /nfs/dbraw/zinc/51/97/16/988519716.db2.gz IDLSHLZYJLXKAH-HXUWFJFHSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@@H]1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000470520146 988519724 /nfs/dbraw/zinc/51/97/24/988519724.db2.gz IDLSHLZYJLXKAH-HXUWFJFHSA-N 1 3 400.526 3.984 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548549 988726541 /nfs/dbraw/zinc/72/65/41/988726541.db2.gz KVAHSBDFLLUOMW-CTNGQTDRSA-N 1 3 411.512 3.631 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548549 988726548 /nfs/dbraw/zinc/72/65/48/988726548.db2.gz KVAHSBDFLLUOMW-CTNGQTDRSA-N 1 3 411.512 3.631 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000470742150 988781533 /nfs/dbraw/zinc/78/15/33/988781533.db2.gz GHOPWALDSVPSOI-HSZRJFAPSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470743594 988782591 /nfs/dbraw/zinc/78/25/91/988782591.db2.gz CPDUMYKGEBUNSE-FYYLOGMGSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470743594 988782598 /nfs/dbraw/zinc/78/25/98/988782598.db2.gz CPDUMYKGEBUNSE-FYYLOGMGSA-N 1 3 400.611 3.947 20 0 HHADHO CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470897161 988970439 /nfs/dbraw/zinc/97/04/39/988970439.db2.gz LVLQATIAZDDVAD-QHCPKHFHSA-N 1 3 400.611 3.949 20 0 HHADHO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993720 989058830 /nfs/dbraw/zinc/05/88/30/989058830.db2.gz LJLKDXQNDNRYJY-BAOLFZALSA-N 1 3 422.569 3.532 20 0 HHADHO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993720 989058841 /nfs/dbraw/zinc/05/88/41/989058841.db2.gz LJLKDXQNDNRYJY-BAOLFZALSA-N 1 3 422.569 3.532 20 0 HHADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211045 989560369 /nfs/dbraw/zinc/56/03/69/989560369.db2.gz OAUIXOURIFTMTH-PZJWPPBQSA-N 1 3 411.512 3.535 20 0 HHADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211045 989560372 /nfs/dbraw/zinc/56/03/72/989560372.db2.gz OAUIXOURIFTMTH-PZJWPPBQSA-N 1 3 411.512 3.535 20 0 HHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471382508 989561736 /nfs/dbraw/zinc/56/17/36/989561736.db2.gz QHSBSAATSMUWQY-UHFFFAOYSA-N 1 3 409.599 3.931 20 0 HHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471382508 989561742 /nfs/dbraw/zinc/56/17/42/989561742.db2.gz QHSBSAATSMUWQY-UHFFFAOYSA-N 1 3 409.599 3.931 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425251 989769396 /nfs/dbraw/zinc/76/93/96/989769396.db2.gz BETLSWHVHASNNA-PMACEKPBSA-N 1 3 406.640 3.894 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425251 989769401 /nfs/dbraw/zinc/76/94/01/989769401.db2.gz BETLSWHVHASNNA-PMACEKPBSA-N 1 3 406.640 3.894 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589812 989967525 /nfs/dbraw/zinc/96/75/25/989967525.db2.gz DLUPVXMHXNQRNZ-FCHUYYIVSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589812 989967530 /nfs/dbraw/zinc/96/75/30/989967530.db2.gz DLUPVXMHXNQRNZ-FCHUYYIVSA-N 1 3 400.611 3.805 20 0 HHADHO O=C(NCCCCC[NH+]1CCCCC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471896829 990067822 /nfs/dbraw/zinc/06/78/22/990067822.db2.gz FMTFEQLHVXCPLP-UHFFFAOYSA-N 1 3 418.548 3.747 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465694787 990081102 /nfs/dbraw/zinc/08/11/02/990081102.db2.gz QHHHVTIVMGAXBP-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465694787 990081113 /nfs/dbraw/zinc/08/11/13/990081113.db2.gz QHHHVTIVMGAXBP-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000465820818 990203665 /nfs/dbraw/zinc/20/36/65/990203665.db2.gz XESRFVDXNRCQNA-NRFANRHFSA-N 1 3 408.590 3.944 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000465820818 990203675 /nfs/dbraw/zinc/20/36/75/990203675.db2.gz XESRFVDXNRCQNA-NRFANRHFSA-N 1 3 408.590 3.944 20 0 HHADHO C[C@@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883458 991005255 /nfs/dbraw/zinc/00/52/55/991005255.db2.gz ZUNVIWXRDUZWCS-VXKWHMMOSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883458 991005262 /nfs/dbraw/zinc/00/52/62/991005262.db2.gz ZUNVIWXRDUZWCS-VXKWHMMOSA-N 1 3 408.590 3.813 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073887 991247204 /nfs/dbraw/zinc/24/72/04/991247204.db2.gz FLFWDCXWNFMOCO-UYAOXDASSA-N 1 3 406.640 3.894 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073887 991247214 /nfs/dbraw/zinc/24/72/14/991247214.db2.gz FLFWDCXWNFMOCO-UYAOXDASSA-N 1 3 406.640 3.894 20 0 HHADHO Brc1cncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000466462896 991754177 /nfs/dbraw/zinc/75/41/77/991754177.db2.gz DPIJKQXVILTTSE-UHFFFAOYSA-N 1 3 417.395 3.532 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466535605 991837139 /nfs/dbraw/zinc/83/71/39/991837139.db2.gz GSIPPHHJZFMKKV-YKSBVNFPSA-N 1 3 408.590 3.943 20 0 HHADHO Cc1ccc(-n2cc(NC(=O)NCC3(N4CCCCC4)CC[NH+](C)CC3)cn2)c(C)c1 ZINC000466938033 992248605 /nfs/dbraw/zinc/24/86/05/992248605.db2.gz KLFRAMGDWPTXCW-UHFFFAOYSA-N 1 3 424.593 3.561 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467403611 992710535 /nfs/dbraw/zinc/71/05/35/992710535.db2.gz WYHQWQBEZYARPM-OAQYLSRUSA-N 1 3 424.427 3.534 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472359650 993357926 /nfs/dbraw/zinc/35/79/26/993357926.db2.gz HQBYMYRGTPJHDV-DEOSSOPVSA-N 1 3 420.601 3.815 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472359650 993357932 /nfs/dbraw/zinc/35/79/32/993357932.db2.gz HQBYMYRGTPJHDV-DEOSSOPVSA-N 1 3 420.601 3.815 20 0 HHADHO CC(C)N1CCN(CCC[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000472456223 993458479 /nfs/dbraw/zinc/45/84/79/993458479.db2.gz RRSYCEADMTXBHS-UHFFFAOYSA-N 1 3 424.427 3.708 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000480714798 993583951 /nfs/dbraw/zinc/58/39/51/993583951.db2.gz QWQMWOQDRRYNHK-OAQYLSRUSA-N 1 3 403.574 3.861 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000480714795 993584080 /nfs/dbraw/zinc/58/40/80/993584080.db2.gz QWQMWOQDRRYNHK-NRFANRHFSA-N 1 3 403.574 3.861 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4cc(Br)ccc43)cc2)CC1 ZINC000480895942 993754360 /nfs/dbraw/zinc/75/43/60/993754360.db2.gz HYVFZGGDXZRELF-QFIPXVFZSA-N 1 3 414.391 3.974 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163598 993995758 /nfs/dbraw/zinc/99/57/58/993995758.db2.gz AJJMLRGTLQGJOJ-NFBKMPQASA-N 1 3 421.589 3.511 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000481308380 994125785 /nfs/dbraw/zinc/12/57/85/994125785.db2.gz LFMCLVYNIIQFMT-BWKNWUBXSA-N 1 3 422.617 3.871 20 0 HHADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000473502560 994350852 /nfs/dbraw/zinc/35/08/52/994350852.db2.gz KKXBRZDYYXVMLE-HXUWFJFHSA-N 1 3 415.626 3.599 20 0 HHADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000473502560 994350860 /nfs/dbraw/zinc/35/08/60/994350860.db2.gz KKXBRZDYYXVMLE-HXUWFJFHSA-N 1 3 415.626 3.599 20 0 HHADHO C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000481553248 994385698 /nfs/dbraw/zinc/38/56/98/994385698.db2.gz RTMJUWXZORBDCP-AWEZNQCLSA-N 1 3 421.335 3.969 20 0 HHADHO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000481818298 994668178 /nfs/dbraw/zinc/66/81/78/994668178.db2.gz VHWUOVYPAXYVRF-RUZDIDTESA-N 1 3 418.585 3.735 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)CC1 ZINC000482272800 995249989 /nfs/dbraw/zinc/24/99/89/995249989.db2.gz IBCAXRRQSLQYCL-UHFFFAOYSA-N 1 3 411.565 3.537 20 0 HHADHO Cc1ccccc1-n1nccc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000474278607 995274566 /nfs/dbraw/zinc/27/45/66/995274566.db2.gz XAJNNPMFDIQZIM-UHFFFAOYSA-N 1 3 409.622 3.809 20 0 HHADHO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC000474294254 995285164 /nfs/dbraw/zinc/28/51/64/995285164.db2.gz SAYSZTXUCCNDHH-UHFFFAOYSA-N 1 3 415.578 3.539 20 0 HHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000474517696 995481703 /nfs/dbraw/zinc/48/17/03/995481703.db2.gz LLTXYZDFFIWJFQ-PMACEKPBSA-N 1 3 412.578 3.509 20 0 HHADHO Cc1c([C@@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(C)cc1 ZINC000482529432 995538041 /nfs/dbraw/zinc/53/80/41/995538041.db2.gz GTJMFXXTMNVXIV-LJQANCHMSA-N 1 3 407.562 3.718 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482559993 995566565 /nfs/dbraw/zinc/56/65/65/995566565.db2.gz ZCZMLXGPOBFKCG-QGZVFWFLSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709811 995698017 /nfs/dbraw/zinc/69/80/17/995698017.db2.gz TVTUSVMANZISNF-OFNKIYASSA-N 1 3 422.573 3.657 20 0 HHADHO COc1ccc([C@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1NC(C)=O ZINC000482873158 995807532 /nfs/dbraw/zinc/80/75/32/995807532.db2.gz KHSBSABOMSVPSW-SFHVURJKSA-N 1 3 411.546 3.979 20 0 HHADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000482883924 995816228 /nfs/dbraw/zinc/81/62/28/995816228.db2.gz DGWPGTIHNZGVRX-HNNXBMFYSA-N 1 3 417.541 3.934 20 0 HHADHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000483715691 996345818 /nfs/dbraw/zinc/34/58/18/996345818.db2.gz XEHOIYSNSPEOQN-VQTJNVASSA-N 1 3 415.603 3.788 20 0 HHADHO C[C@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccccc1 ZINC000483715689 996346106 /nfs/dbraw/zinc/34/61/06/996346106.db2.gz XEHOIYSNSPEOQN-UXHICEINSA-N 1 3 415.603 3.788 20 0 HHADHO Cc1coc(-c2ccc(C)c(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)n1 ZINC000483896449 996455600 /nfs/dbraw/zinc/45/56/00/996455600.db2.gz JNWJVVBYQZBXCA-UHFFFAOYSA-N 1 3 411.550 3.639 20 0 HHADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260441 997653572 /nfs/dbraw/zinc/65/35/72/997653572.db2.gz NFRDPBKZVBAONJ-KNQAVFIVSA-N 1 3 412.578 3.920 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260442 997653707 /nfs/dbraw/zinc/65/37/07/997653707.db2.gz NFRDPBKZVBAONJ-SIKLNZKXSA-N 1 3 412.578 3.920 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4cccc(Cl)c4)CCCC3)CC2)CC1 ZINC000485497326 997951750 /nfs/dbraw/zinc/95/17/50/997951750.db2.gz RLUGVEZGJFALAV-UHFFFAOYSA-N 1 3 419.013 3.967 20 0 HHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000477280130 997959670 /nfs/dbraw/zinc/95/96/70/997959670.db2.gz SMWWUFJODWWGIE-QILAJZQNSA-N 1 3 420.601 3.955 20 0 HHADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000477280130 997959681 /nfs/dbraw/zinc/95/96/81/997959681.db2.gz SMWWUFJODWWGIE-QILAJZQNSA-N 1 3 420.601 3.955 20 0 HHADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000485504069 997961760 /nfs/dbraw/zinc/96/17/60/997961760.db2.gz SCAPNVTVCOKROK-UHFFFAOYSA-N 1 3 404.624 3.620 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315815 998708945 /nfs/dbraw/zinc/70/89/45/998708945.db2.gz CONNKDIUKVKFNT-TUSQITKMSA-N 1 3 420.601 3.861 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315815 998708948 /nfs/dbraw/zinc/70/89/48/998708948.db2.gz CONNKDIUKVKFNT-TUSQITKMSA-N 1 3 420.601 3.861 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478293528 998869715 /nfs/dbraw/zinc/86/97/15/998869715.db2.gz ZHJICLAAGMJKQA-SFHVURJKSA-N 1 3 418.029 3.939 20 0 HHADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274654 999121013 /nfs/dbraw/zinc/12/10/13/999121013.db2.gz VBXPAAANNSKERL-PMACEKPBSA-N 1 3 422.495 3.953 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000478795365 999144571 /nfs/dbraw/zinc/14/45/71/999144571.db2.gz IRIURCVWDLCEAQ-QFIPXVFZSA-N 1 3 400.542 3.768 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000478795365 999144574 /nfs/dbraw/zinc/14/45/74/999144574.db2.gz IRIURCVWDLCEAQ-QFIPXVFZSA-N 1 3 400.542 3.768 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077178 999368868 /nfs/dbraw/zinc/36/88/68/999368868.db2.gz RYABQTAEUFILMW-PQNGQFLHSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077178 999368872 /nfs/dbraw/zinc/36/88/72/999368872.db2.gz RYABQTAEUFILMW-PQNGQFLHSA-N 1 3 408.590 3.717 20 0 HHADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000488405164 999477160 /nfs/dbraw/zinc/47/71/60/999477160.db2.gz JGDDSPGJLHMNJE-KRWDZBQOSA-N 1 3 424.427 3.850 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564331 999529263 /nfs/dbraw/zinc/52/92/63/999529263.db2.gz WSWSAXMBFHUAFX-KXTAGPOFSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564331 999529267 /nfs/dbraw/zinc/52/92/67/999529267.db2.gz WSWSAXMBFHUAFX-KXTAGPOFSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564336 999529328 /nfs/dbraw/zinc/52/93/28/999529328.db2.gz WSWSAXMBFHUAFX-WIHVIGOGSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564336 999529329 /nfs/dbraw/zinc/52/93/29/999529329.db2.gz WSWSAXMBFHUAFX-WIHVIGOGSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616190 999546995 /nfs/dbraw/zinc/54/69/95/999546995.db2.gz VNQOTIZBEQVCCO-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616190 999546998 /nfs/dbraw/zinc/54/69/98/999546998.db2.gz VNQOTIZBEQVCCO-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292883 999738822 /nfs/dbraw/zinc/73/88/22/999738822.db2.gz JWXJNGMGXUCVOO-DEOSSOPVSA-N 1 3 420.601 3.815 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292883 999738825 /nfs/dbraw/zinc/73/88/25/999738825.db2.gz JWXJNGMGXUCVOO-DEOSSOPVSA-N 1 3 420.601 3.815 20 0 HHADHO Cc1cccc([C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)(C)C)c1 ZINC000489394954 999757924 /nfs/dbraw/zinc/75/79/24/999757924.db2.gz LLUMTXZAKIEDID-QFIPXVFZSA-N 1 3 400.611 3.940 20 0 HHADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489430280 999765756 /nfs/dbraw/zinc/76/57/56/999765756.db2.gz GRDODQKTCQKTIN-HBMCJLEFSA-N 1 3 400.611 3.659 20 0 HHADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489430280 999765759 /nfs/dbraw/zinc/76/57/59/999765759.db2.gz GRDODQKTCQKTIN-HBMCJLEFSA-N 1 3 400.611 3.659 20 0 HHADHO CC[NH+](CC)CCC[C@@H](C)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329047 999772627 /nfs/dbraw/zinc/77/26/27/999772627.db2.gz GATGLZLNQACHOM-PBHICJAKSA-N 1 3 417.413 3.768 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480452753 999802456 /nfs/dbraw/zinc/80/24/56/999802456.db2.gz BLXODBDZGXZUBG-LJQANCHMSA-N 1 3 415.603 3.774 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604394 999838702 /nfs/dbraw/zinc/83/87/02/999838702.db2.gz BELAAQRMGIHKCL-NHCUHLMSSA-N 1 3 421.589 3.590 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844111 999848251 /nfs/dbraw/zinc/84/82/51/999848251.db2.gz XMVIAPBHFLZBSQ-RDPSFJRHSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844111 999848253 /nfs/dbraw/zinc/84/82/53/999848253.db2.gz XMVIAPBHFLZBSQ-RDPSFJRHSA-N 1 3 424.589 3.796 20 0 HHADHO CC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccccc1Br ZINC000480708548 999864789 /nfs/dbraw/zinc/86/47/89/999864789.db2.gz LXCQMOZWNPIKQA-IBGZPJMESA-N 1 3 403.368 3.837 20 0 HHADHO CC[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Br ZINC000480708548 999864790 /nfs/dbraw/zinc/86/47/90/999864790.db2.gz LXCQMOZWNPIKQA-IBGZPJMESA-N 1 3 403.368 3.837 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173577 999904856 /nfs/dbraw/zinc/90/48/56/999904856.db2.gz WMTFQICKPOGSDZ-PGRDOPGGSA-N 1 3 403.517 3.993 20 0 HHADHO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000490932094 1000025134 /nfs/dbraw/zinc/02/51/34/1000025134.db2.gz HOHCUPUJOZGPRT-HSZRJFAPSA-N 1 3 424.614 3.674 20 0 HHADHO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCCN3CCOCC3)CC2)c1 ZINC000506047896 1001189419 /nfs/dbraw/zinc/18/94/19/1001189419.db2.gz RIGWHLABFFRCCH-GOSISDBHSA-N 1 3 405.608 3.560 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000506515688 1001447881 /nfs/dbraw/zinc/44/78/81/1001447881.db2.gz LQOPXSBDBAYFJF-OAQYLSRUSA-N 1 3 407.549 3.772 20 0 HHADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594711 1001451589 /nfs/dbraw/zinc/45/15/89/1001451589.db2.gz CNBMSAJGYYORPF-FXAWDEMLSA-N 1 3 424.511 3.578 20 0 HHADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594711 1001451591 /nfs/dbraw/zinc/45/15/91/1001451591.db2.gz CNBMSAJGYYORPF-FXAWDEMLSA-N 1 3 424.511 3.578 20 0 HHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000497633218 1001465971 /nfs/dbraw/zinc/46/59/71/1001465971.db2.gz LNQRPVIESVROMO-FDDCHVKYSA-N 1 3 412.553 3.953 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000498031328 1001613544 /nfs/dbraw/zinc/61/35/44/1001613544.db2.gz VFXJYNMFKMHWMY-NQIIRXRSSA-N 1 3 418.607 3.888 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000498031328 1001613546 /nfs/dbraw/zinc/61/35/46/1001613546.db2.gz VFXJYNMFKMHWMY-NQIIRXRSSA-N 1 3 418.607 3.888 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)CC1 ZINC000507142228 1001833561 /nfs/dbraw/zinc/83/35/61/1001833561.db2.gz JGZCBMIHTOESLF-UHFFFAOYSA-N 1 3 420.601 3.531 20 0 HHADHO O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498526208 1001946889 /nfs/dbraw/zinc/94/68/89/1001946889.db2.gz VBFPVKNJXLLVMT-QFIPXVFZSA-N 1 3 423.523 3.775 20 0 HHADHO C[NH+](C)CCC1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000498638754 1002040061 /nfs/dbraw/zinc/04/00/61/1002040061.db2.gz OBTFEJIVWSOSFD-NRFANRHFSA-N 1 3 411.512 3.631 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000499104555 1002496739 /nfs/dbraw/zinc/49/67/39/1002496739.db2.gz WYBXKEBBJSQKNG-LEOXJPRUSA-N 1 3 412.553 3.638 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000499104555 1002496744 /nfs/dbraw/zinc/49/67/44/1002496744.db2.gz WYBXKEBBJSQKNG-LEOXJPRUSA-N 1 3 412.553 3.638 20 0 HHADHO Fc1cccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139404 1002524575 /nfs/dbraw/zinc/52/45/75/1002524575.db2.gz OXBNAPADZGLAIV-QYOOZWMWSA-N 1 3 423.576 3.984 20 0 HHADHO O=C(NCCCCC[NH+]1CCCC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508233002 1002759881 /nfs/dbraw/zinc/75/98/81/1002759881.db2.gz ZCHSYTYZTZBRLG-NRFANRHFSA-N 1 3 411.512 3.823 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508712114 1003150719 /nfs/dbraw/zinc/15/07/19/1003150719.db2.gz BTVJRJDYHWOEBH-FKARDDIWSA-N 1 3 413.512 3.737 20 0 HHADHO COc1ccc([C@H](CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713091 1003152236 /nfs/dbraw/zinc/15/22/36/1003152236.db2.gz SBTIGRKPYOMOBD-OIBXWCBGSA-N 1 3 411.590 3.807 20 0 HHADHO COc1ccc([C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713091 1003152243 /nfs/dbraw/zinc/15/22/43/1003152243.db2.gz SBTIGRKPYOMOBD-OIBXWCBGSA-N 1 3 411.590 3.807 20 0 HHADHO Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722157 1003162769 /nfs/dbraw/zinc/16/27/69/1003162769.db2.gz WQANDVKOUVANGP-RZFJZAQRSA-N 1 3 407.602 3.869 20 0 HHADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000508786920 1003216322 /nfs/dbraw/zinc/21/63/22/1003216322.db2.gz YCIVTXCLFAVFBQ-NRFANRHFSA-N 1 3 411.512 3.772 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000508849355 1003270037 /nfs/dbraw/zinc/27/00/37/1003270037.db2.gz BMWXPMJUUJYWOU-ODGPQVTHSA-N 1 3 408.590 3.841 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000508849355 1003270046 /nfs/dbraw/zinc/27/00/46/1003270046.db2.gz BMWXPMJUUJYWOU-ODGPQVTHSA-N 1 3 408.590 3.841 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874915 1003294806 /nfs/dbraw/zinc/29/48/06/1003294806.db2.gz VMXODEHPRJDQAM-OFAXGOBFSA-N 1 3 412.578 3.597 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000500098886 1003460997 /nfs/dbraw/zinc/46/09/97/1003460997.db2.gz NQCUSXFUJNVEQZ-XMMPIXPASA-N 1 3 408.590 3.992 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000500166905 1003520208 /nfs/dbraw/zinc/52/02/08/1003520208.db2.gz XHOKUOGYZDFYRZ-UHFFFAOYSA-N 1 3 408.590 3.946 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372170 1003668291 /nfs/dbraw/zinc/66/82/91/1003668291.db2.gz UOYVZYYSJZMNAB-RBUKOAKNSA-N 1 3 410.389 3.772 20 0 HHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000500725671 1003923670 /nfs/dbraw/zinc/92/36/70/1003923670.db2.gz QSLNPGLTUAGOMG-HXUWFJFHSA-N 1 3 401.599 3.523 20 0 HHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000500725671 1003923675 /nfs/dbraw/zinc/92/36/75/1003923675.db2.gz QSLNPGLTUAGOMG-HXUWFJFHSA-N 1 3 401.599 3.523 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000500763146 1003943177 /nfs/dbraw/zinc/94/31/77/1003943177.db2.gz KYQHPBVVHMZRJQ-HSZRJFAPSA-N 1 3 400.611 3.895 20 0 HHADHO CC1CCN(CCC[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000509681146 1004026316 /nfs/dbraw/zinc/02/63/16/1004026316.db2.gz MMXUPJGOPISFRT-UHFFFAOYSA-N 1 3 422.013 3.858 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512184182 1004086328 /nfs/dbraw/zinc/08/63/28/1004086328.db2.gz XHLWCNUZEUASNU-HDICACEKSA-N 1 3 414.569 3.949 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512184182 1004086335 /nfs/dbraw/zinc/08/63/35/1004086335.db2.gz XHLWCNUZEUASNU-HDICACEKSA-N 1 3 414.569 3.949 20 0 HHADHO O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237451 1004139610 /nfs/dbraw/zinc/13/96/10/1004139610.db2.gz RCYCFWOAPIKCSB-JTHBVZDNSA-N 1 3 400.950 3.678 20 0 HHADHO O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237451 1004139618 /nfs/dbraw/zinc/13/96/18/1004139618.db2.gz RCYCFWOAPIKCSB-JTHBVZDNSA-N 1 3 400.950 3.678 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000501041106 1004143030 /nfs/dbraw/zinc/14/30/30/1004143030.db2.gz VQYJYQBROYXYRC-XMMPIXPASA-N 1 3 406.574 3.984 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000509921343 1004209206 /nfs/dbraw/zinc/20/92/06/1004209206.db2.gz YNJYRZJZLYWAJX-UHFFFAOYSA-N 1 3 422.573 3.837 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000509993927 1004253102 /nfs/dbraw/zinc/25/31/02/1004253102.db2.gz JPVZSSHGSPTMAZ-HSZRJFAPSA-N 1 3 421.589 3.615 20 0 HHADHO CC[C@@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)N1CCc2ccccc2C1 ZINC000501348260 1004360395 /nfs/dbraw/zinc/36/03/95/1004360395.db2.gz CWQUBXRSENCUOZ-QHCPKHFHSA-N 1 3 400.611 3.587 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648996 1004460138 /nfs/dbraw/zinc/46/01/38/1004460138.db2.gz PXGXUMGCMRXXMB-GVXSCFBNSA-N 1 3 407.558 3.914 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648996 1004460145 /nfs/dbraw/zinc/46/01/45/1004460145.db2.gz PXGXUMGCMRXXMB-GVXSCFBNSA-N 1 3 407.558 3.914 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000512831080 1004589504 /nfs/dbraw/zinc/58/95/04/1004589504.db2.gz FDALZVWVINZHLK-GMAHTHKFSA-N 1 3 416.610 3.736 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950806 1004950167 /nfs/dbraw/zinc/95/01/67/1004950167.db2.gz NCUVUSMVGJWQSM-PZJWPPBQSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950806 1004950173 /nfs/dbraw/zinc/95/01/73/1004950173.db2.gz NCUVUSMVGJWQSM-PZJWPPBQSA-N 1 3 401.348 3.793 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000513419572 1004956797 /nfs/dbraw/zinc/95/67/97/1004956797.db2.gz IONUIGHCZMUPCW-NRFANRHFSA-N 1 3 405.533 3.621 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000513419572 1004956800 /nfs/dbraw/zinc/95/68/00/1004956800.db2.gz IONUIGHCZMUPCW-NRFANRHFSA-N 1 3 405.533 3.621 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448294 1004971073 /nfs/dbraw/zinc/97/10/73/1004971073.db2.gz QZXBVJMIAPRFBL-GHTZIAJQSA-N 1 3 411.512 3.822 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448294 1004971078 /nfs/dbraw/zinc/97/10/78/1004971078.db2.gz QZXBVJMIAPRFBL-GHTZIAJQSA-N 1 3 411.512 3.822 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3c2cccc3Br)C1 ZINC000513449682 1004972213 /nfs/dbraw/zinc/97/22/13/1004972213.db2.gz ZKBQZKNQHFGMKK-UWJYYQICSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3c2cccc3Br)C1 ZINC000513449682 1004972218 /nfs/dbraw/zinc/97/22/18/1004972218.db2.gz ZKBQZKNQHFGMKK-UWJYYQICSA-N 1 3 401.348 3.793 20 0 HHADHO C[NH+]1CCC2(CCCN2C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000511017823 1004981806 /nfs/dbraw/zinc/98/18/06/1004981806.db2.gz QZTNICFAAUHCAK-JOCHJYFZSA-N 1 3 412.622 3.729 20 0 HHADHO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000513536109 1005010946 /nfs/dbraw/zinc/01/09/46/1005010946.db2.gz FEJFHKTVNCBLES-UHFFFAOYSA-N 1 3 415.626 3.867 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230634 1005083039 /nfs/dbraw/zinc/08/30/39/1005083039.db2.gz RUZXEELCWCGPSC-SSPYTLHUSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230634 1005083043 /nfs/dbraw/zinc/08/30/43/1005083043.db2.gz RUZXEELCWCGPSC-SSPYTLHUSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230231 1005083130 /nfs/dbraw/zinc/08/31/30/1005083130.db2.gz RUZXEELCWCGPSC-BGWNEDDSSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230231 1005083135 /nfs/dbraw/zinc/08/31/35/1005083135.db2.gz RUZXEELCWCGPSC-BGWNEDDSSA-N 1 3 412.622 3.945 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250501 1005091290 /nfs/dbraw/zinc/09/12/90/1005091290.db2.gz NKQJUYCEBXQKRL-IFMALSPDSA-N 1 3 400.611 3.721 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250501 1005091295 /nfs/dbraw/zinc/09/12/95/1005091295.db2.gz NKQJUYCEBXQKRL-IFMALSPDSA-N 1 3 400.611 3.721 20 0 HHADHO C[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1=CC[N@H+](C)CC1 ZINC000511291874 1005110732 /nfs/dbraw/zinc/11/07/32/1005110732.db2.gz WJNPJAUHEFZHFI-KRWDZBQOSA-N 1 3 404.986 3.502 20 0 HHADHO C[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1=CC[N@@H+](C)CC1 ZINC000511291874 1005110735 /nfs/dbraw/zinc/11/07/35/1005110735.db2.gz WJNPJAUHEFZHFI-KRWDZBQOSA-N 1 3 404.986 3.502 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000513756462 1005111581 /nfs/dbraw/zinc/11/15/81/1005111581.db2.gz GFJNPSMWDDRAPA-DEOSSOPVSA-N 1 3 409.574 3.549 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000502889493 1005260876 /nfs/dbraw/zinc/26/08/76/1005260876.db2.gz XLQGQNXYHWLEGP-OFNKIYASSA-N 1 3 416.610 3.643 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000502889493 1005260881 /nfs/dbraw/zinc/26/08/81/1005260881.db2.gz XLQGQNXYHWLEGP-OFNKIYASSA-N 1 3 416.610 3.643 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000502891973 1005261925 /nfs/dbraw/zinc/26/19/25/1005261925.db2.gz IETZKZVXUPMREF-WOJBJXKFSA-N 1 3 404.599 3.644 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110339 1005269962 /nfs/dbraw/zinc/26/99/62/1005269962.db2.gz CSAILVJYNNHGPI-KGSLCBSSSA-N 1 3 400.611 3.879 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110339 1005269965 /nfs/dbraw/zinc/26/99/65/1005269965.db2.gz CSAILVJYNNHGPI-KGSLCBSSSA-N 1 3 400.611 3.879 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171452 1005297999 /nfs/dbraw/zinc/29/79/99/1005297999.db2.gz BQHKLKAFMBIXBR-DNQXCXABSA-N 1 3 406.574 3.706 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212138 1005369578 /nfs/dbraw/zinc/36/95/78/1005369578.db2.gz MSWVMEBWYFXOLH-PFATUAPWSA-N 1 3 420.601 3.686 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212138 1005369582 /nfs/dbraw/zinc/36/95/82/1005369582.db2.gz MSWVMEBWYFXOLH-PFATUAPWSA-N 1 3 420.601 3.686 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496489 1005437142 /nfs/dbraw/zinc/43/71/42/1005437142.db2.gz AELGUIYGNZLOBB-ILBGXUMGSA-N 1 3 422.617 3.716 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496489 1005437145 /nfs/dbraw/zinc/43/71/45/1005437145.db2.gz AELGUIYGNZLOBB-ILBGXUMGSA-N 1 3 422.617 3.716 20 0 HHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000503737433 1005487878 /nfs/dbraw/zinc/48/78/78/1005487878.db2.gz IAQQDVYJONMWRP-UHFFFAOYSA-N 1 3 414.516 3.511 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2)C1 ZINC000504398951 1005618710 /nfs/dbraw/zinc/61/87/10/1005618710.db2.gz KQIYNFHCRKNPLX-NRFANRHFSA-N 1 3 423.605 3.587 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2)C1 ZINC000504398951 1005618712 /nfs/dbraw/zinc/61/87/12/1005618712.db2.gz KQIYNFHCRKNPLX-NRFANRHFSA-N 1 3 423.605 3.587 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000514564964 1006038594 /nfs/dbraw/zinc/03/85/94/1006038594.db2.gz RFTGPVFJVNAKTI-FQEVSTJZSA-N 1 3 400.592 3.658 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000514635758 1006064202 /nfs/dbraw/zinc/06/42/02/1006064202.db2.gz XZJUKLKOXGUHJL-ISKFKSNPSA-N 1 3 416.569 3.532 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000514635758 1006064216 /nfs/dbraw/zinc/06/42/16/1006064216.db2.gz XZJUKLKOXGUHJL-ISKFKSNPSA-N 1 3 416.569 3.532 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181161 1006169607 /nfs/dbraw/zinc/16/96/07/1006169607.db2.gz GSKNFKRPUXYISW-LOSJGSFVSA-N 1 3 423.601 3.531 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181161 1006169613 /nfs/dbraw/zinc/16/96/13/1006169613.db2.gz GSKNFKRPUXYISW-LOSJGSFVSA-N 1 3 423.601 3.531 20 0 HHADHO Cc1cc(C)c(CN[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c(C)c1 ZINC000531949860 1006539247 /nfs/dbraw/zinc/53/92/47/1006539247.db2.gz KJTOTJCRDZITSX-HXUWFJFHSA-N 1 3 417.619 3.693 20 0 HHADHO CN(c1ccccc1CNc1cccc(CN2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC000532107905 1006641757 /nfs/dbraw/zinc/64/17/57/1006641757.db2.gz LDNQTLJNXSDASJ-UHFFFAOYSA-N 1 3 421.633 3.577 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)N(C)C)cc1 ZINC000515805087 1006685607 /nfs/dbraw/zinc/68/56/07/1006685607.db2.gz JIMWVLCDTLLZRF-QHCPKHFHSA-N 1 3 414.569 3.764 20 0 HHADHO CN1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000534720397 1006706728 /nfs/dbraw/zinc/70/67/28/1006706728.db2.gz ADVJBVANPOEKQQ-ZEQRLZLVSA-N 1 3 406.574 3.738 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000538603916 1006876834 /nfs/dbraw/zinc/87/68/34/1006876834.db2.gz LYPGXTFVHLWSJZ-UHFFFAOYSA-N 1 3 423.454 3.960 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460348 1006900390 /nfs/dbraw/zinc/90/03/90/1006900390.db2.gz GWEKUCUGDYWRJM-NZJKTDFXSA-N 1 3 423.601 3.711 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460348 1006900398 /nfs/dbraw/zinc/90/03/98/1006900398.db2.gz GWEKUCUGDYWRJM-NZJKTDFXSA-N 1 3 423.601 3.711 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000516215022 1006951246 /nfs/dbraw/zinc/95/12/46/1006951246.db2.gz BTYSZFRNOMOMGW-QGZVFWFLSA-N 1 3 422.411 3.682 20 0 HHADHO Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723188 1006998254 /nfs/dbraw/zinc/99/82/54/1006998254.db2.gz NVLYTHQMYPDAJY-ZJSXRUAMSA-N 1 3 423.649 3.936 20 0 HHADHO Cc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723188 1006998266 /nfs/dbraw/zinc/99/82/66/1006998266.db2.gz NVLYTHQMYPDAJY-ZJSXRUAMSA-N 1 3 423.649 3.936 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(NC(=O)c3ccoc3C)CC2)CC1 ZINC000538740378 1007023604 /nfs/dbraw/zinc/02/36/04/1007023604.db2.gz KIWUXPLDCWBIQA-UHFFFAOYSA-N 1 3 424.589 3.514 20 0 HHADHO Cn1cc(CNCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C(C)(C)C)n1 ZINC000538756749 1007041644 /nfs/dbraw/zinc/04/16/44/1007041644.db2.gz WOMQTTINNLFZAM-UHFFFAOYSA-N 1 3 423.527 3.778 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@@H](C)O1 ZINC000538761872 1007045669 /nfs/dbraw/zinc/04/56/69/1007045669.db2.gz IEHPIEHDVDZIQO-WOJBJXKFSA-N 1 3 410.562 3.980 20 0 HHADHO Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042252 1007339504 /nfs/dbraw/zinc/33/95/04/1007339504.db2.gz WWVRGNZAWOHYLZ-WZONZLPQSA-N 1 3 415.603 3.563 20 0 HHADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000539072817 1007364021 /nfs/dbraw/zinc/36/40/21/1007364021.db2.gz UKPZFPOBMKUAIN-QYZOEREBSA-N 1 3 410.002 3.556 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073097 1007364084 /nfs/dbraw/zinc/36/40/84/1007364084.db2.gz HXKPTDGYBZWDGT-ZCNNSNEGSA-N 1 3 400.567 3.539 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000539074323 1007364772 /nfs/dbraw/zinc/36/47/72/1007364772.db2.gz ZXHHSPCEZSXTBM-XMMPIXPASA-N 1 3 421.585 3.860 20 0 HHADHO CN1CC[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000535397310 1007463074 /nfs/dbraw/zinc/46/30/74/1007463074.db2.gz NIUALENPGGJVJT-JWQCQUIFSA-N 1 3 420.601 3.985 20 0 HHADHO CN1CC[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000535397310 1007463080 /nfs/dbraw/zinc/46/30/80/1007463080.db2.gz NIUALENPGGJVJT-JWQCQUIFSA-N 1 3 420.601 3.985 20 0 HHADHO C[N@H+](CCc1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1)C1CC1 ZINC000539330960 1007631244 /nfs/dbraw/zinc/63/12/44/1007631244.db2.gz JJGLRFCCLCRTOR-UHFFFAOYSA-N 1 3 421.585 3.780 20 0 HHADHO C[N@@H+](CCc1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1)C1CC1 ZINC000539330960 1007631249 /nfs/dbraw/zinc/63/12/49/1007631249.db2.gz JJGLRFCCLCRTOR-UHFFFAOYSA-N 1 3 421.585 3.780 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517541723 1007758464 /nfs/dbraw/zinc/75/84/64/1007758464.db2.gz RVQXURNJAXGKGQ-GBXCKJPGSA-N 1 3 406.574 3.917 20 0 HHADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728032 1007933734 /nfs/dbraw/zinc/93/37/34/1007933734.db2.gz FSCONJUKENJUFU-NOZRDPDXSA-N 1 3 421.585 3.861 20 0 HHADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728032 1007933759 /nfs/dbraw/zinc/93/37/59/1007933759.db2.gz FSCONJUKENJUFU-NOZRDPDXSA-N 1 3 421.585 3.861 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708185 1008025972 /nfs/dbraw/zinc/02/59/72/1008025972.db2.gz BVLHSOXOIGSLBR-KNQAVFIVSA-N 1 3 419.573 3.685 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708185 1008025982 /nfs/dbraw/zinc/02/59/82/1008025982.db2.gz BVLHSOXOIGSLBR-KNQAVFIVSA-N 1 3 419.573 3.685 20 0 HHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884058 1008028772 /nfs/dbraw/zinc/02/87/72/1008028772.db2.gz XPEWMOYKTXBXTH-WOJBJXKFSA-N 1 3 406.640 3.941 20 0 HHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884058 1008028779 /nfs/dbraw/zinc/02/87/79/1008028779.db2.gz XPEWMOYKTXBXTH-WOJBJXKFSA-N 1 3 406.640 3.941 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(-c4c(F)cccc4F)c3)CC2)CC1 ZINC000536060276 1008089556 /nfs/dbraw/zinc/08/95/56/1008089556.db2.gz UOPCWQMJUWEFII-UHFFFAOYSA-N 1 3 413.512 3.920 20 0 HHADHO COc1cc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000539978223 1008218247 /nfs/dbraw/zinc/21/82/47/1008218247.db2.gz PQBFDCSXYQZASU-UHFFFAOYSA-N 1 3 410.949 3.938 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000518402429 1008289963 /nfs/dbraw/zinc/28/99/63/1008289963.db2.gz AHLYVVHASLTQBC-OALUTQOASA-N 1 3 404.599 3.642 20 0 HHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000540160847 1008316684 /nfs/dbraw/zinc/31/66/84/1008316684.db2.gz OXROFDGAQHBERK-BPCBYJRWSA-N 1 3 420.569 3.802 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000540171895 1008321563 /nfs/dbraw/zinc/32/15/63/1008321563.db2.gz GLINUQJUWBDNGF-BRWVUGGUSA-N 1 3 415.500 3.902 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)c(F)c1 ZINC000540175426 1008323148 /nfs/dbraw/zinc/32/31/48/1008323148.db2.gz FSZGOKNBZAHITM-AWEZNQCLSA-N 1 3 422.342 3.730 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301485 1008372648 /nfs/dbraw/zinc/37/26/48/1008372648.db2.gz ZTIGUNRSIQFLEE-LADGPHEKSA-N 1 3 407.558 3.633 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301485 1008372650 /nfs/dbraw/zinc/37/26/50/1008372650.db2.gz ZTIGUNRSIQFLEE-LADGPHEKSA-N 1 3 407.558 3.633 20 0 HHADHO CCOC(=O)[C@H]1CC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229414 1008798967 /nfs/dbraw/zinc/79/89/67/1008798967.db2.gz UPLXFXJNHXGNSM-DQEYMECFSA-N 1 3 422.569 3.915 20 0 HHADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000549229414 1008798980 /nfs/dbraw/zinc/79/89/80/1008798980.db2.gz UPLXFXJNHXGNSM-DQEYMECFSA-N 1 3 422.569 3.915 20 0 HHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000519656493 1008943560 /nfs/dbraw/zinc/94/35/60/1008943560.db2.gz WPWGWQRSYULWKP-HXUWFJFHSA-N 1 3 400.954 3.679 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000544002975 1009603847 /nfs/dbraw/zinc/60/38/47/1009603847.db2.gz SRRVFVKPBYCZDB-YJBOKZPZSA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002975 1009603854 /nfs/dbraw/zinc/60/38/54/1009603854.db2.gz SRRVFVKPBYCZDB-YJBOKZPZSA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000544002975 1009603859 /nfs/dbraw/zinc/60/38/59/1009603859.db2.gz SRRVFVKPBYCZDB-YJBOKZPZSA-N 1 3 423.623 3.969 20 0 HHADHO COc1ccc(Oc2ccc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351044 1009976741 /nfs/dbraw/zinc/97/67/41/1009976741.db2.gz NIINLZMQEFOKCM-NLFFAJNJSA-N 1 3 409.574 3.945 20 0 HHADHO COc1ccc(Oc2ccc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2)cc1 ZINC000544351044 1009976750 /nfs/dbraw/zinc/97/67/50/1009976750.db2.gz NIINLZMQEFOKCM-NLFFAJNJSA-N 1 3 409.574 3.945 20 0 HHADHO CN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005623 1010312305 /nfs/dbraw/zinc/31/23/05/1010312305.db2.gz MRXWJOLSVUTPPF-IZZNHLLZSA-N 1 3 406.618 3.619 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521573690 1010472954 /nfs/dbraw/zinc/47/29/54/1010472954.db2.gz DLQBNVRTVZKTRO-NRFANRHFSA-N 1 3 415.528 3.767 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686014 1010549805 /nfs/dbraw/zinc/54/98/05/1010549805.db2.gz VGTSZPSLMOSVNJ-AUSIDOKSSA-N 1 3 412.553 3.734 20 0 HHADHO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483578 1010641825 /nfs/dbraw/zinc/64/18/25/1010641825.db2.gz NTVDOZVBVNGJNH-NBHGPNQESA-N 1 3 403.364 3.983 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000521973355 1010745152 /nfs/dbraw/zinc/74/51/52/1010745152.db2.gz XQOHQTRBWVPVQX-XMMPIXPASA-N 1 3 424.589 3.783 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000521973355 1010745157 /nfs/dbraw/zinc/74/51/57/1010745157.db2.gz XQOHQTRBWVPVQX-XMMPIXPASA-N 1 3 424.589 3.783 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763795 1011202733 /nfs/dbraw/zinc/20/27/33/1011202733.db2.gz SYZMLBPWIBBKJS-POAQFYNOSA-N 1 3 424.511 3.624 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763795 1011202735 /nfs/dbraw/zinc/20/27/35/1011202735.db2.gz SYZMLBPWIBBKJS-POAQFYNOSA-N 1 3 424.511 3.624 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829280 1011264615 /nfs/dbraw/zinc/26/46/15/1011264615.db2.gz HGJLRLRKLZNVCW-OFVILXPXSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829280 1011264630 /nfs/dbraw/zinc/26/46/30/1011264630.db2.gz HGJLRLRKLZNVCW-OFVILXPXSA-N 1 3 420.601 3.842 20 0 HHADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536230703 1011379525 /nfs/dbraw/zinc/37/95/25/1011379525.db2.gz CUWURGLMIKVDJW-OALUTQOASA-N 1 3 414.516 3.738 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132270 1011601401 /nfs/dbraw/zinc/60/14/01/1011601401.db2.gz WTFOIISUHXWVBB-DEOSSOPVSA-N 1 3 408.590 3.639 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132270 1011601408 /nfs/dbraw/zinc/60/14/08/1011601408.db2.gz WTFOIISUHXWVBB-DEOSSOPVSA-N 1 3 408.590 3.639 20 0 HHADHO CCOCc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000536663811 1011815198 /nfs/dbraw/zinc/81/51/98/1011815198.db2.gz WSIKFPZBJXSFDR-WOJBJXKFSA-N 1 3 404.595 3.943 20 0 HHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341093 1011818600 /nfs/dbraw/zinc/81/86/00/1011818600.db2.gz YULBSYQJSVFZHA-PZJWPPBQSA-N 1 3 400.592 3.554 20 0 HHADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341093 1011818626 /nfs/dbraw/zinc/81/86/26/1011818626.db2.gz YULBSYQJSVFZHA-PZJWPPBQSA-N 1 3 400.592 3.554 20 0 HHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341094 1011818717 /nfs/dbraw/zinc/81/87/17/1011818717.db2.gz YULBSYQJSVFZHA-TZIWHRDSSA-N 1 3 400.592 3.554 20 0 HHADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341094 1011818732 /nfs/dbraw/zinc/81/87/32/1011818732.db2.gz YULBSYQJSVFZHA-TZIWHRDSSA-N 1 3 400.592 3.554 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000541218987 1011892629 /nfs/dbraw/zinc/89/26/29/1011892629.db2.gz XOIVKNPYTLIMHM-INIZCTEOSA-N 1 3 400.567 3.605 20 0 HHADHO CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523524389 1012052108 /nfs/dbraw/zinc/05/21/08/1012052108.db2.gz KQWPCTOMECGMRA-XMMPIXPASA-N 1 3 412.622 3.947 20 0 HHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536855739 1012088584 /nfs/dbraw/zinc/08/85/84/1012088584.db2.gz CBYFVRBJZJXBOH-QYZOEREBSA-N 1 3 410.002 3.556 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000536862388 1012096865 /nfs/dbraw/zinc/09/68/65/1012096865.db2.gz HYGPZGLYZRLDTE-OAHLLOKOSA-N 1 3 404.352 3.591 20 0 HHADHO Cc1cc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388572 1012111158 /nfs/dbraw/zinc/11/11/58/1012111158.db2.gz IYJIXXWCHDOOLV-QHCPKHFHSA-N 1 3 402.542 3.530 20 0 HHADHO Cc1cc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388572 1012111166 /nfs/dbraw/zinc/11/11/66/1012111166.db2.gz IYJIXXWCHDOOLV-QHCPKHFHSA-N 1 3 402.542 3.530 20 0 HHADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552255856 1012265909 /nfs/dbraw/zinc/26/59/09/1012265909.db2.gz XNJDYMKQOJNCCU-HJOGWXRNSA-N 1 3 423.580 3.510 20 0 HHADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@@H]21 ZINC000552255856 1012265925 /nfs/dbraw/zinc/26/59/25/1012265925.db2.gz XNJDYMKQOJNCCU-HJOGWXRNSA-N 1 3 423.580 3.510 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900007 1012901246 /nfs/dbraw/zinc/90/12/46/1012901246.db2.gz YBKVRDISSNJHFG-VAMGGRTRSA-N 1 3 422.635 3.943 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000552927727 1012926598 /nfs/dbraw/zinc/92/65/98/1012926598.db2.gz BOFTYKMJZVUKRO-MRXNPFEDSA-N 1 3 409.521 3.662 20 0 HHADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000537444770 1012937737 /nfs/dbraw/zinc/93/77/37/1012937737.db2.gz LJGOPFIVCQYEBW-APWZRJJASA-N 1 3 402.608 3.862 20 0 HHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000537486540 1012998331 /nfs/dbraw/zinc/99/83/31/1012998331.db2.gz IGOCGJSULKOYNS-JXFKEZNVSA-N 1 3 407.480 3.645 20 0 HHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000537488122 1012999117 /nfs/dbraw/zinc/99/91/17/1012999117.db2.gz NVGAVPRIKVTFJK-UZLBHIALSA-N 1 3 407.480 3.645 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186284 1073248567 /nfs/dbraw/zinc/24/85/67/1073248567.db2.gz QYIZFSGIWNGPDL-ACRUOGEOSA-N 1 3 400.954 3.687 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186284 1073248570 /nfs/dbraw/zinc/24/85/70/1073248570.db2.gz QYIZFSGIWNGPDL-ACRUOGEOSA-N 1 3 400.954 3.687 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186285 1073248664 /nfs/dbraw/zinc/24/86/64/1073248664.db2.gz QYIZFSGIWNGPDL-HKBOAZHASA-N 1 3 400.954 3.687 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186285 1073248667 /nfs/dbraw/zinc/24/86/67/1073248667.db2.gz QYIZFSGIWNGPDL-HKBOAZHASA-N 1 3 400.954 3.687 20 0 HHADHO CN(C)C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000555187918 1073249088 /nfs/dbraw/zinc/24/90/88/1073249088.db2.gz ABBYGTXIGHLLGF-NRFANRHFSA-N 1 3 402.970 3.546 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060555 1073534722 /nfs/dbraw/zinc/53/47/22/1073534722.db2.gz NHALWWDFCFPLRQ-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060555 1073534740 /nfs/dbraw/zinc/53/47/40/1073534740.db2.gz NHALWWDFCFPLRQ-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000591092152 1074107601 /nfs/dbraw/zinc/10/76/01/1074107601.db2.gz HMXSHCSLIGSPKC-OFNKIYASSA-N 1 3 409.574 3.973 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000591092152 1074107604 /nfs/dbraw/zinc/10/76/04/1074107604.db2.gz HMXSHCSLIGSPKC-OFNKIYASSA-N 1 3 409.574 3.973 20 0 HHADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000575165390 1075491852 /nfs/dbraw/zinc/49/18/52/1075491852.db2.gz JEKXWPYPKNHREL-QUCCMNQESA-N 1 3 406.640 3.893 20 0 HHADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000575165388 1075492187 /nfs/dbraw/zinc/49/21/87/1075492187.db2.gz JEKXWPYPKNHREL-AZUAARDMSA-N 1 3 406.640 3.893 20 0 HHADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000575165389 1075492225 /nfs/dbraw/zinc/49/22/25/1075492225.db2.gz JEKXWPYPKNHREL-ICSRJNTNSA-N 1 3 406.640 3.893 20 0 HHADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000303108490 971508149 /nfs/dbraw/zinc/50/81/49/971508149.db2.gz JUJMRWNNUAXHES-NRFANRHFSA-N 1 3 411.512 3.820 20 0 HHADHO CC1(C)CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000303238565 971574560 /nfs/dbraw/zinc/57/45/60/971574560.db2.gz HUQNNSMAPFRYLK-OAQYLSRUSA-N 1 3 410.562 3.723 20 0 HHADHO CC1(C)CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000303238565 971574565 /nfs/dbraw/zinc/57/45/65/971574565.db2.gz HUQNNSMAPFRYLK-OAQYLSRUSA-N 1 3 410.562 3.723 20 0 HHADHO CC1(C)CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000303238565 971574573 /nfs/dbraw/zinc/57/45/73/971574573.db2.gz HUQNNSMAPFRYLK-OAQYLSRUSA-N 1 3 410.562 3.723 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000537660068 1013220908 /nfs/dbraw/zinc/22/09/08/1013220908.db2.gz XGDXKXVMTOQTCV-ROUUACIJSA-N 1 3 400.542 3.927 20 0 HHADHO CC1CC[NH+](CCc2cccc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)CC1 ZINC000537671236 1013232006 /nfs/dbraw/zinc/23/20/06/1013232006.db2.gz TYBOYZBFBBMPDC-HSZRJFAPSA-N 1 3 416.610 3.536 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)cc2)CC1 ZINC000015550623 962790799 /nfs/dbraw/zinc/79/07/99/962790799.db2.gz XHUVMSMELXFRSG-XMMPIXPASA-N 1 3 412.553 3.893 20 0 HHADHO CCCCO[C@@H]1C[C@@H](N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497011 1013398409 /nfs/dbraw/zinc/39/84/09/1013398409.db2.gz JWGASAKRVAGNDB-FGZHOGPDSA-N 1 3 407.643 3.625 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532838 1013477370 /nfs/dbraw/zinc/47/73/70/1013477370.db2.gz SVROODGZMHGVKV-TXPKVOOTSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532838 1013477375 /nfs/dbraw/zinc/47/73/75/1013477375.db2.gz SVROODGZMHGVKV-TXPKVOOTSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532821 1013477330 /nfs/dbraw/zinc/47/73/30/1013477330.db2.gz SVROODGZMHGVKV-FCEWJHQRSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532821 1013477336 /nfs/dbraw/zinc/47/73/36/1013477336.db2.gz SVROODGZMHGVKV-FCEWJHQRSA-N 1 3 400.485 3.688 20 0 HHADHO COc1ccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCCCC2)cc1 ZINC000050797281 964400159 /nfs/dbraw/zinc/40/01/59/964400159.db2.gz UXUGSGGJDQIHFZ-UHFFFAOYSA-N 1 3 413.606 3.572 20 0 HHADHO CCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1OCCC ZINC000050803157 964402814 /nfs/dbraw/zinc/40/28/14/964402814.db2.gz CIRZELHQCZEVJW-UHFFFAOYSA-N 1 3 417.594 3.553 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CCc4ccccc4)CC3)CC2)CC1 ZINC000051759060 964689199 /nfs/dbraw/zinc/68/91/99/964689199.db2.gz IRTUYARIPHJSEP-UHFFFAOYSA-N 1 3 412.622 3.599 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnc2ccsc2c1 ZINC000537968352 1013545932 /nfs/dbraw/zinc/54/59/32/1013545932.db2.gz CGVYNKSWTJDKAX-QGZVFWFLSA-N 1 3 408.571 3.973 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(Br)c1 ZINC000537968397 1013545989 /nfs/dbraw/zinc/54/59/89/1013545989.db2.gz DQWNWRFKJDBKDG-AWEZNQCLSA-N 1 3 422.342 3.730 20 0 HHADHO C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537987868 1013562434 /nfs/dbraw/zinc/56/24/34/1013562434.db2.gz TXWFIXVJQJFTES-FQEVSTJZSA-N 1 3 405.542 3.688 20 0 HHADHO CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034616 1013606964 /nfs/dbraw/zinc/60/69/64/1013606964.db2.gz JSWUTWLKCAZROQ-XMMPIXPASA-N 1 3 414.638 3.900 20 0 HHADHO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034616 1013606969 /nfs/dbraw/zinc/60/69/69/1013606969.db2.gz JSWUTWLKCAZROQ-XMMPIXPASA-N 1 3 414.638 3.900 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C[NH+]1CCCCC1 ZINC000061791818 966555880 /nfs/dbraw/zinc/55/58/80/966555880.db2.gz MSJXRMYDWBXZTK-LJQANCHMSA-N 1 3 404.624 3.521 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000061868927 966568653 /nfs/dbraw/zinc/56/86/53/966568653.db2.gz KATWBKGKPNKVER-UHFFFAOYSA-N 1 3 418.651 3.688 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000061868927 966568660 /nfs/dbraw/zinc/56/86/60/966568660.db2.gz KATWBKGKPNKVER-UHFFFAOYSA-N 1 3 418.651 3.688 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000061941606 966583766 /nfs/dbraw/zinc/58/37/66/966583766.db2.gz NKHUYYFPWGXNLS-QFIPXVFZSA-N 1 3 414.619 3.879 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000061941606 966583772 /nfs/dbraw/zinc/58/37/72/966583772.db2.gz NKHUYYFPWGXNLS-QFIPXVFZSA-N 1 3 414.619 3.879 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000062484623 966688192 /nfs/dbraw/zinc/68/81/92/966688192.db2.gz CBMZZYZLVNXIFR-UHFFFAOYSA-N 1 3 414.569 3.939 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000062484623 966688193 /nfs/dbraw/zinc/68/81/93/966688193.db2.gz CBMZZYZLVNXIFR-UHFFFAOYSA-N 1 3 414.569 3.939 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100477 1013669740 /nfs/dbraw/zinc/66/97/40/1013669740.db2.gz FQFYYDCYQOXPQB-ISKFKSNPSA-N 1 3 409.574 3.879 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100477 1013669743 /nfs/dbraw/zinc/66/97/43/1013669743.db2.gz FQFYYDCYQOXPQB-ISKFKSNPSA-N 1 3 409.574 3.879 20 0 HHADHO S=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000063145386 966761074 /nfs/dbraw/zinc/76/10/74/966761074.db2.gz BLJZUKRJSAFFLP-UHFFFAOYSA-N 1 3 422.642 3.911 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3c2cccc3Br)cc1 ZINC000538115329 1013677012 /nfs/dbraw/zinc/67/70/12/1013677012.db2.gz QZGFYYBIHCEHRQ-HXUWFJFHSA-N 1 3 416.363 3.518 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064244477 967104448 /nfs/dbraw/zinc/10/44/48/967104448.db2.gz FKFPREQKOYUPOI-UHFFFAOYSA-N 1 3 406.640 3.724 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850559 1013709467 /nfs/dbraw/zinc/70/94/67/1013709467.db2.gz YXNMFGGSOLTCPQ-UTKZUKDTSA-N 1 3 419.338 3.932 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850559 1013709471 /nfs/dbraw/zinc/70/94/71/1013709471.db2.gz YXNMFGGSOLTCPQ-UTKZUKDTSA-N 1 3 419.338 3.932 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976256 967614003 /nfs/dbraw/zinc/61/40/03/967614003.db2.gz IXWMNEPHKNVPJP-PMACEKPBSA-N 1 3 401.599 3.521 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976256 967614007 /nfs/dbraw/zinc/61/40/07/967614007.db2.gz IXWMNEPHKNVPJP-PMACEKPBSA-N 1 3 401.599 3.521 20 0 HHADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099607 1013797037 /nfs/dbraw/zinc/79/70/37/1013797037.db2.gz NUDFMWZZZACRDT-INIZCTEOSA-N 1 3 419.791 3.648 20 0 HHADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000554099607 1013797045 /nfs/dbraw/zinc/79/70/45/1013797045.db2.gz NUDFMWZZZACRDT-INIZCTEOSA-N 1 3 419.791 3.648 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000048220332 968489950 /nfs/dbraw/zinc/48/99/50/968489950.db2.gz ARQDOZRCBXHLTH-UHFFFAOYSA-N 1 3 406.574 3.530 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000097549222 969158075 /nfs/dbraw/zinc/15/80/75/969158075.db2.gz DKMDRTAYYQDUGH-BJKOFHAPSA-N 1 3 423.576 3.719 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000097549222 969158080 /nfs/dbraw/zinc/15/80/80/969158080.db2.gz DKMDRTAYYQDUGH-BJKOFHAPSA-N 1 3 423.576 3.719 20 0 HHADHO CCN(C)[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717336 /nfs/dbraw/zinc/71/73/36/969717336.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 1 3 409.574 3.605 20 0 HHADHO CCN(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717340 /nfs/dbraw/zinc/71/73/40/969717340.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@H+](C)[C@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717343 /nfs/dbraw/zinc/71/73/43/969717343.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@@H+](C)[C@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745195 969717354 /nfs/dbraw/zinc/71/73/54/969717354.db2.gz GBWSOIHPADMFII-ROKPMTFOSA-N 1 3 409.574 3.605 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3SC(F)(F)F)CC2)CC1 ZINC000216003050 970059939 /nfs/dbraw/zinc/05/99/39/970059939.db2.gz SRRIXCLXRAGRAZ-UHFFFAOYSA-N 1 3 416.513 3.979 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000228927460 970128403 /nfs/dbraw/zinc/12/84/03/970128403.db2.gz CLMIRBYJPHHPGG-TXTKFYIRSA-N 1 3 418.622 3.545 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc(Br)c2)cc1 ZINC000236567964 970142240 /nfs/dbraw/zinc/14/22/40/970142240.db2.gz IUBXKHHVACKOBR-UHFFFAOYSA-N 1 3 416.363 3.565 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 ZINC000236976929 970197761 /nfs/dbraw/zinc/19/77/61/970197761.db2.gz WVMRJMQNWSOLGX-LJQANCHMSA-N 1 3 415.553 3.529 20 0 HHADHO COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237256399 970249529 /nfs/dbraw/zinc/24/95/29/970249529.db2.gz ZEGORRQVILNCBH-QFIPXVFZSA-N 1 3 417.553 3.836 20 0 HHADHO COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237256399 970249535 /nfs/dbraw/zinc/24/95/35/970249535.db2.gz ZEGORRQVILNCBH-QFIPXVFZSA-N 1 3 417.553 3.836 20 0 HHADHO COc1ccccc1-c1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000237340271 970266583 /nfs/dbraw/zinc/26/65/83/970266583.db2.gz HHVLDDMVXJIUBK-UHFFFAOYSA-N 1 3 417.553 3.943 20 0 HHADHO COc1ccc(Br)cc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397582134 972871732 /nfs/dbraw/zinc/87/17/32/972871732.db2.gz FSRUVRFEVGHZEC-UHFFFAOYSA-N 1 3 419.363 3.574 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000409455711 972901192 /nfs/dbraw/zinc/90/11/92/972901192.db2.gz YOOYEFRLTBHZLZ-OFNKIYASSA-N 1 3 409.574 3.973 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C(Cc3ccccc3)Cc3ccccc3)CC2)CC1 ZINC000409613611 973061895 /nfs/dbraw/zinc/06/18/95/973061895.db2.gz PMRZQADCDGGCMI-UHFFFAOYSA-N 1 3 419.613 3.763 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426769400 974645850 /nfs/dbraw/zinc/64/58/50/974645850.db2.gz INOZKHQPWPOAFB-BGYRXZFFSA-N 1 3 412.578 3.881 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000426769401 974645996 /nfs/dbraw/zinc/64/59/96/974645996.db2.gz INOZKHQPWPOAFB-PMACEKPBSA-N 1 3 412.578 3.881 20 0 HHADHO CC(C)CNC(=O)c1cccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000426770260 974647149 /nfs/dbraw/zinc/64/71/49/974647149.db2.gz QJWHINWLVPEPCO-NHCUHLMSSA-N 1 3 415.622 3.784 20 0 HHADHO C[C@@H](NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ncc(Br)cc1F ZINC000427583142 975199524 /nfs/dbraw/zinc/19/95/24/975199524.db2.gz MAOJTOZFNPELQT-OAHLLOKOSA-N 1 3 421.358 3.581 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846664 975319214 /nfs/dbraw/zinc/31/92/14/975319214.db2.gz ANKNMWLWKUMMON-AZUAARDMSA-N 1 3 405.464 3.834 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846664 975319219 /nfs/dbraw/zinc/31/92/19/975319219.db2.gz ANKNMWLWKUMMON-AZUAARDMSA-N 1 3 405.464 3.834 20 0 HHADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003078 976282451 /nfs/dbraw/zinc/28/24/51/976282451.db2.gz CVOUWLNZOBCDPP-OZXSUGGESA-N 1 3 408.586 3.780 20 0 HHADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003078 976282465 /nfs/dbraw/zinc/28/24/65/976282465.db2.gz CVOUWLNZOBCDPP-OZXSUGGESA-N 1 3 408.586 3.780 20 0 HHADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429331313 976596633 /nfs/dbraw/zinc/59/66/33/976596633.db2.gz VBRKSODGYSQTIV-HXUWFJFHSA-N 1 3 421.541 3.515 20 0 HHADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000429501191 976757499 /nfs/dbraw/zinc/75/74/99/976757499.db2.gz HPDLNLBBPBVNTG-HSZRJFAPSA-N 1 3 412.622 3.729 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704398 978447562 /nfs/dbraw/zinc/44/75/62/978447562.db2.gz XARQFAFRHQMCQO-RDGATRHJSA-N 1 3 420.601 3.957 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704398 978447565 /nfs/dbraw/zinc/44/75/65/978447565.db2.gz XARQFAFRHQMCQO-RDGATRHJSA-N 1 3 420.601 3.957 20 0 HHADHO CCn1nccc1C1CCN(C/C=C\C[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000434743964 980375297 /nfs/dbraw/zinc/37/52/97/980375297.db2.gz GDGGULXXWAQXBC-WAYWQWQTSA-N 1 3 410.610 3.735 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@](C)(CCc4ccccc4)C3)CC2)CC1 ZINC000435413314 980848385 /nfs/dbraw/zinc/84/83/85/980848385.db2.gz AFFVIBKVRYXIIW-RUZDIDTESA-N 1 3 412.622 3.599 20 0 HHADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000436369014 981330197 /nfs/dbraw/zinc/33/01/97/981330197.db2.gz ULUHRMYWILSOSV-GUDVDZBRSA-N 1 3 400.567 3.701 20 0 HHADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000436369016 981330343 /nfs/dbraw/zinc/33/03/43/981330343.db2.gz ULUHRMYWILSOSV-OTWHNJEPSA-N 1 3 400.567 3.701 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466223 981802369 /nfs/dbraw/zinc/80/23/69/981802369.db2.gz LRIOBSGGHHHGJM-XWGVYQGASA-N 1 3 410.606 3.790 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466223 981802380 /nfs/dbraw/zinc/80/23/80/981802380.db2.gz LRIOBSGGHHHGJM-XWGVYQGASA-N 1 3 410.606 3.790 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525335 981854210 /nfs/dbraw/zinc/85/42/10/981854210.db2.gz PZWWEFAUSYSLGH-WTIAFYNJSA-N 1 3 414.638 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525335 981854216 /nfs/dbraw/zinc/85/42/16/981854216.db2.gz PZWWEFAUSYSLGH-WTIAFYNJSA-N 1 3 414.638 3.831 20 0 HHADHO CCCC[NH+]1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000438101589 982588783 /nfs/dbraw/zinc/58/87/83/982588783.db2.gz UEWUPWQKZXMFIE-UHFFFAOYSA-N 1 3 404.624 3.664 20 0 HHADHO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461446673 983111334 /nfs/dbraw/zinc/11/13/34/983111334.db2.gz LGWDIEQKFINQDK-IFMALSPDSA-N 1 3 423.523 3.775 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861612 983127423 /nfs/dbraw/zinc/12/74/23/983127423.db2.gz JGIOWGYDCUYPCV-AUSIDOKSSA-N 1 3 409.578 3.518 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000438955631 983176860 /nfs/dbraw/zinc/17/68/60/983176860.db2.gz CVYCYHJKRDBESI-FQEVSTJZSA-N 1 3 421.589 3.702 20 0 HHADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000439308424 983356569 /nfs/dbraw/zinc/35/65/69/983356569.db2.gz VJOQCKBMQANRIN-RTWAWAEBSA-N 1 3 419.013 3.820 20 0 HHADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000439308424 983356575 /nfs/dbraw/zinc/35/65/75/983356575.db2.gz VJOQCKBMQANRIN-RTWAWAEBSA-N 1 3 419.013 3.820 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000440170400 983668271 /nfs/dbraw/zinc/66/82/71/983668271.db2.gz BKULYKZQMHZGRE-FQEVSTJZSA-N 1 3 413.610 3.515 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185196 983674403 /nfs/dbraw/zinc/67/44/03/983674403.db2.gz JLOVRXCEPLEBFF-YKSBVNFPSA-N 1 3 421.589 3.523 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185196 983674408 /nfs/dbraw/zinc/67/44/08/983674408.db2.gz JLOVRXCEPLEBFF-YKSBVNFPSA-N 1 3 421.589 3.523 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000462060911 985034182 /nfs/dbraw/zinc/03/41/82/985034182.db2.gz PSZHKDXNUXQJTF-UHFFFAOYSA-N 1 3 422.617 3.665 20 0 HHADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442719548 985183708 /nfs/dbraw/zinc/18/37/08/985183708.db2.gz QGRNNDFCAAXFTC-QFIPXVFZSA-N 1 3 402.586 3.823 20 0 HHADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)cc1 ZINC000442719547 985183919 /nfs/dbraw/zinc/18/39/19/985183919.db2.gz QGRNNDFCAAXFTC-JOCHJYFZSA-N 1 3 402.586 3.823 20 0 HHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)s2)cc1 ZINC000442868759 985252245 /nfs/dbraw/zinc/25/22/45/985252245.db2.gz CVPBJKBTOWWGHS-INIZCTEOSA-N 1 3 402.608 3.804 20 0 HHADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442874710 985254440 /nfs/dbraw/zinc/25/44/40/985254440.db2.gz NNUXQVOIJSBYLZ-KDOFPFPSSA-N 1 3 412.441 3.848 20 0 HHADHO CC1CC[NH+](CCC[C@H](NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801254 985734356 /nfs/dbraw/zinc/73/43/56/985734356.db2.gz BLSAKQRDHYMQOE-RJGXRXQPSA-N 1 3 419.585 3.604 20 0 HHADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000443597080 985773016 /nfs/dbraw/zinc/77/30/16/985773016.db2.gz YYLYNJXNBRCRAF-LJQANCHMSA-N 1 3 419.585 3.769 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH+](C)C ZINC000443697096 985909841 /nfs/dbraw/zinc/90/98/41/985909841.db2.gz ICSJZHRJHWHMQI-INIZCTEOSA-N 1 3 416.532 3.755 20 0 HHADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccc(Br)cc1OCCCO ZINC000462966283 985912156 /nfs/dbraw/zinc/91/21/56/985912156.db2.gz NIANAZASCHCMLM-FZDIXFNVSA-N 1 3 411.384 3.734 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133613 986100014 /nfs/dbraw/zinc/10/00/14/986100014.db2.gz USTMDCSCQUSHPS-YNJKOYDBSA-N 1 3 411.565 3.842 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133613 986100018 /nfs/dbraw/zinc/10/00/18/986100018.db2.gz USTMDCSCQUSHPS-YNJKOYDBSA-N 1 3 411.565 3.842 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4c(Cl)cccc4Cl)CC3)CC2)CC1 ZINC000468825821 986535397 /nfs/dbraw/zinc/53/53/97/986535397.db2.gz DUWSVSAZTLPKIL-UHFFFAOYSA-N 1 3 410.389 3.700 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000469051680 986761768 /nfs/dbraw/zinc/76/17/68/986761768.db2.gz UMSKLEAYAFIWMI-QFIPXVFZSA-N 1 3 412.622 3.557 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cc3OC(C)(C)C)CC2)CC1 ZINC000444882098 987033363 /nfs/dbraw/zinc/03/33/63/987033363.db2.gz ZKGGXWKIASCJKJ-UHFFFAOYSA-N 1 3 406.546 3.683 20 0 HHADHO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469760152 987413405 /nfs/dbraw/zinc/41/34/05/987413405.db2.gz HMLMSIRPLMLHKR-ROUUACIJSA-N 1 3 413.528 3.780 20 0 HHADHO CCCOc1cccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000469764610 987417035 /nfs/dbraw/zinc/41/70/35/987417035.db2.gz OYNADRMIDWSRCF-NHCUHLMSSA-N 1 3 423.601 3.838 20 0 HHADHO CC[C@H](Cc1ccccc1)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000469765370 987417820 /nfs/dbraw/zinc/41/78/20/987417820.db2.gz TXTYLANQKUDNOY-JOCHJYFZSA-N 1 3 400.611 3.598 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000469766075 987418753 /nfs/dbraw/zinc/41/87/53/987418753.db2.gz WCPTVYCRAZECNZ-NHCUHLMSSA-N 1 3 405.586 3.928 20 0 HHADHO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469787782 987433004 /nfs/dbraw/zinc/43/30/04/987433004.db2.gz RERHLOUZDJHFRP-VSKRKVRLSA-N 1 3 407.602 3.788 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000470283017 988239634 /nfs/dbraw/zinc/23/96/34/988239634.db2.gz LXIOYHOOCLMIMA-QHCPKHFHSA-N 1 3 400.611 3.660 20 0 HHADHO CCC1(CC)Oc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2O1 ZINC000470549228 988559158 /nfs/dbraw/zinc/55/91/58/988559158.db2.gz WWSCGXBCSAMUCV-UHFFFAOYSA-N 1 3 416.566 3.654 20 0 HHADHO CCC1(CC)CN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000464580137 988758601 /nfs/dbraw/zinc/75/86/01/988758601.db2.gz FUKISDMJUMMCHA-LJQANCHMSA-N 1 3 403.636 3.763 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470743595 988782200 /nfs/dbraw/zinc/78/22/00/988782200.db2.gz CPDUMYKGEBUNSE-GGAORHGYSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470743595 988782210 /nfs/dbraw/zinc/78/22/10/988782210.db2.gz CPDUMYKGEBUNSE-GGAORHGYSA-N 1 3 400.611 3.947 20 0 HHADHO CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470750309 988791609 /nfs/dbraw/zinc/79/16/09/988791609.db2.gz VZUQQVHUSCJYMJ-XMMPIXPASA-N 1 3 408.590 3.815 20 0 HHADHO CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470750309 988791620 /nfs/dbraw/zinc/79/16/20/988791620.db2.gz VZUQQVHUSCJYMJ-XMMPIXPASA-N 1 3 408.590 3.815 20 0 HHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474772 989671214 /nfs/dbraw/zinc/67/12/14/989671214.db2.gz GZXFBGCGFQZDPG-DSNGMDLFSA-N 1 3 418.585 3.597 20 0 HHADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474772 989671217 /nfs/dbraw/zinc/67/12/17/989671217.db2.gz GZXFBGCGFQZDPG-DSNGMDLFSA-N 1 3 418.585 3.597 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509102 989707462 /nfs/dbraw/zinc/70/74/62/989707462.db2.gz ZBFKXVUNPNFPNA-LEWJYISDSA-N 1 3 412.603 3.706 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509102 989707466 /nfs/dbraw/zinc/70/74/66/989707466.db2.gz ZBFKXVUNPNFPNA-LEWJYISDSA-N 1 3 412.603 3.706 20 0 HHADHO C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000465435220 989780410 /nfs/dbraw/zinc/78/04/10/989780410.db2.gz BNFANZBVEDGYFE-JOCHJYFZSA-N 1 3 420.601 3.957 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609465 989814141 /nfs/dbraw/zinc/81/41/41/989814141.db2.gz JFUMJSZGDXVIIV-IVMQYODDSA-N 1 3 418.548 3.603 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609465 989814158 /nfs/dbraw/zinc/81/41/58/989814158.db2.gz JFUMJSZGDXVIIV-IVMQYODDSA-N 1 3 418.548 3.603 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000465524803 989880831 /nfs/dbraw/zinc/88/08/31/989880831.db2.gz DGKPYSQZSGIPED-ILBGXUMGSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000465524803 989880836 /nfs/dbraw/zinc/88/08/36/989880836.db2.gz DGKPYSQZSGIPED-ILBGXUMGSA-N 1 3 420.601 3.987 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589815 989967579 /nfs/dbraw/zinc/96/75/79/989967579.db2.gz DLUPVXMHXNQRNZ-YADHBBJMSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589815 989967584 /nfs/dbraw/zinc/96/75/84/989967584.db2.gz DLUPVXMHXNQRNZ-YADHBBJMSA-N 1 3 400.611 3.805 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824627 990208479 /nfs/dbraw/zinc/20/84/79/990208479.db2.gz ZXVRZLWRABWGIO-ISKFKSNPSA-N 1 3 408.590 3.761 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824627 990208489 /nfs/dbraw/zinc/20/84/89/990208489.db2.gz ZXVRZLWRABWGIO-ISKFKSNPSA-N 1 3 408.590 3.761 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248273 991483889 /nfs/dbraw/zinc/48/38/89/991483889.db2.gz KTEOOYDVXWWQKA-IEZKXTBUSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248273 991483897 /nfs/dbraw/zinc/48/38/97/991483897.db2.gz KTEOOYDVXWWQKA-IEZKXTBUSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466530741 991829476 /nfs/dbraw/zinc/82/94/76/991829476.db2.gz RRIJTJXXWDPZBD-XUZZJYLKSA-N 1 3 420.601 3.955 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480760769 993626154 /nfs/dbraw/zinc/62/61/54/993626154.db2.gz IENVKHWPFCLJLQ-FQEVSTJZSA-N 1 3 414.619 3.813 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000480780290 993647404 /nfs/dbraw/zinc/64/74/04/993647404.db2.gz QBSCSPOXKSUAGJ-KRWDZBQOSA-N 1 3 409.500 3.692 20 0 HHADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480899066 993756204 /nfs/dbraw/zinc/75/62/04/993756204.db2.gz OATUCSAHWHOJST-IBGZPJMESA-N 1 3 421.589 3.569 20 0 HHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000481292703 994107655 /nfs/dbraw/zinc/10/76/55/994107655.db2.gz FQFBGYDBMMSHEM-IBGZPJMESA-N 1 3 415.603 3.919 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820039 994748372 /nfs/dbraw/zinc/74/83/72/994748372.db2.gz IKQZPDDEBWNKGC-WOJBJXKFSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820039 994748379 /nfs/dbraw/zinc/74/83/79/994748379.db2.gz IKQZPDDEBWNKGC-WOJBJXKFSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c2)CC1 ZINC000473838370 994772731 /nfs/dbraw/zinc/77/27/31/994772731.db2.gz WAGWWDVGJCJSBS-UHFFFAOYSA-N 1 3 421.589 3.746 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932188 994804781 /nfs/dbraw/zinc/80/47/81/994804781.db2.gz MQLKSSSQIVLDII-RLLQIKCJSA-N 1 3 410.002 3.654 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000481932188 994804796 /nfs/dbraw/zinc/80/47/96/994804796.db2.gz MQLKSSSQIVLDII-RLLQIKCJSA-N 1 3 410.002 3.654 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071962 995058378 /nfs/dbraw/zinc/05/83/78/995058378.db2.gz HNUHIAPUOJZSOV-RDPSFJRHSA-N 1 3 421.585 3.905 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071962 995058387 /nfs/dbraw/zinc/05/83/87/995058387.db2.gz HNUHIAPUOJZSOV-RDPSFJRHSA-N 1 3 421.585 3.905 20 0 HHADHO COc1ccc2c(c1)[C@H](NCc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000482258593 995236525 /nfs/dbraw/zinc/23/65/25/995236525.db2.gz FSNGQJCWVBBBCC-RUZDIDTESA-N 1 3 410.558 3.962 20 0 HHADHO COc1ccc2c(c1)[C@H](NCc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000482258593 995236535 /nfs/dbraw/zinc/23/65/35/995236535.db2.gz FSNGQJCWVBBBCC-RUZDIDTESA-N 1 3 410.558 3.962 20 0 HHADHO O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482434226 995427036 /nfs/dbraw/zinc/42/70/36/995427036.db2.gz FACCTXKKAHFMLZ-AGHUKTAOSA-N 1 3 403.570 3.973 20 0 HHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000482544390 995552588 /nfs/dbraw/zinc/55/25/88/995552588.db2.gz RWLSFMVNSHUDMT-VQIMIIECSA-N 1 3 400.592 3.665 20 0 HHADHO Clc1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630256 995578035 /nfs/dbraw/zinc/57/80/35/995578035.db2.gz FWCQAQWISMAEED-INIZCTEOSA-N 1 3 401.967 3.984 20 0 HHADHO Clc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630256 995578042 /nfs/dbraw/zinc/57/80/42/995578042.db2.gz FWCQAQWISMAEED-INIZCTEOSA-N 1 3 401.967 3.984 20 0 HHADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000482724639 995709106 /nfs/dbraw/zinc/70/91/06/995709106.db2.gz SQHYDGUOCDLCFB-JOCHJYFZSA-N 1 3 423.523 3.964 20 0 HHADHO CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475012590 995869210 /nfs/dbraw/zinc/86/92/10/995869210.db2.gz IYIILISDXQUODU-ZEQRLZLVSA-N 1 3 406.574 3.739 20 0 HHADHO C[NH+](C)[C@@H](CNC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475015433 995871107 /nfs/dbraw/zinc/87/11/07/995871107.db2.gz IAIGUDNYAIFXFO-IBGZPJMESA-N 1 3 407.480 3.949 20 0 HHADHO C[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139453 995947922 /nfs/dbraw/zinc/94/79/22/995947922.db2.gz NMANSPRQQCMTHE-NTKDMRAZSA-N 1 3 402.542 3.818 20 0 HHADHO C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000475154869 995958211 /nfs/dbraw/zinc/95/82/11/995958211.db2.gz RRXAXBVAKYXBCU-BEFAXECRSA-N 1 3 404.352 3.519 20 0 HHADHO Cc1cccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126832 995991181 /nfs/dbraw/zinc/99/11/81/995991181.db2.gz LMKWXOYYLYXTQF-WOJBJXKFSA-N 1 3 417.619 3.945 20 0 HHADHO Brc1cnn(CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000475214673 996001712 /nfs/dbraw/zinc/00/17/12/996001712.db2.gz QQELQMIWDSYGQA-HMXCVIKNSA-N 1 3 417.395 3.926 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200700 996034031 /nfs/dbraw/zinc/03/40/31/996034031.db2.gz OKFUGQOJNWMAQP-QRVBRYPASA-N 1 3 411.537 3.593 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200700 996034036 /nfs/dbraw/zinc/03/40/36/996034036.db2.gz OKFUGQOJNWMAQP-QRVBRYPASA-N 1 3 411.537 3.593 20 0 HHADHO COc1ccc(COC[C@H](O)CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727863 996327371 /nfs/dbraw/zinc/32/73/71/996327371.db2.gz IIPOAZWBCIIKJS-AOYPEHQESA-N 1 3 424.585 3.561 20 0 HHADHO COc1ccc(COC[C@H](O)CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727863 996327375 /nfs/dbraw/zinc/32/73/75/996327375.db2.gz IIPOAZWBCIIKJS-AOYPEHQESA-N 1 3 424.585 3.561 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(OC)c1 ZINC000483705539 996339541 /nfs/dbraw/zinc/33/95/41/996339541.db2.gz BVZNLTTYMICUFR-QHCPKHFHSA-N 1 3 416.610 3.784 20 0 HHADHO CCCCn1ncc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1C(C)C ZINC000485159570 997542844 /nfs/dbraw/zinc/54/28/44/997542844.db2.gz JTMFTFZWVFUPQB-UHFFFAOYSA-N 1 3 418.630 3.878 20 0 HHADHO C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000485247151 997632349 /nfs/dbraw/zinc/63/23/49/997632349.db2.gz REYCLXMSZMORAZ-YKSBVNFPSA-N 1 3 408.590 3.889 20 0 HHADHO C[C@H](NCc1ccc(C2CC2)cc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000477869087 998619029 /nfs/dbraw/zinc/61/90/29/998619029.db2.gz XBQKYXGTODGPDN-SFHVURJKSA-N 1 3 415.603 3.645 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315812 998708912 /nfs/dbraw/zinc/70/89/12/998708912.db2.gz CONNKDIUKVKFNT-FTBPSBKWSA-N 1 3 420.601 3.861 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315812 998708918 /nfs/dbraw/zinc/70/89/18/998708918.db2.gz CONNKDIUKVKFNT-FTBPSBKWSA-N 1 3 420.601 3.861 20 0 HHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274469 999120917 /nfs/dbraw/zinc/12/09/17/999120917.db2.gz USNBFNCYDTUNQS-MOPGFXCFSA-N 1 3 408.468 3.563 20 0 HHADHO CC(C)OCCN1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479552955 999473940 /nfs/dbraw/zinc/47/39/40/999473940.db2.gz HVYIFBTZNGGWAT-OAQYLSRUSA-N 1 3 422.658 3.562 20 0 HHADHO CC(C)OCCN1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479552955 999473943 /nfs/dbraw/zinc/47/39/43/999473943.db2.gz HVYIFBTZNGGWAT-OAQYLSRUSA-N 1 3 422.658 3.562 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229494 999726747 /nfs/dbraw/zinc/72/67/47/999726747.db2.gz YFGKMIRTNGDBOP-BJLQDIEVSA-N 1 3 418.607 3.982 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229494 999726749 /nfs/dbraw/zinc/72/67/49/999726749.db2.gz YFGKMIRTNGDBOP-BJLQDIEVSA-N 1 3 418.607 3.982 20 0 HHADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249964 999730182 /nfs/dbraw/zinc/73/01/82/999730182.db2.gz PGJNHADIFJPMGQ-YLJYHZDGSA-N 1 3 418.607 3.982 20 0 HHADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000489322801 999745495 /nfs/dbraw/zinc/74/54/95/999745495.db2.gz KNAJZFAVCSOQDF-XMMPIXPASA-N 1 3 420.601 3.957 20 0 HHADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000480272156 999760707 /nfs/dbraw/zinc/76/07/07/999760707.db2.gz AKLPYNVGXHAJOQ-GOSISDBHSA-N 1 3 403.592 3.630 20 0 HHADHO Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466829 999805809 /nfs/dbraw/zinc/80/58/09/999805809.db2.gz ZEPOQRKEEJWJQM-SQJMNOBHSA-N 1 3 411.590 3.660 20 0 HHADHO Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466824 999805858 /nfs/dbraw/zinc/80/58/58/999805858.db2.gz ZEPOQRKEEJWJQM-BWKNWUBXSA-N 1 3 411.590 3.660 20 0 HHADHO Cc1ccc(C(=O)CC[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000480566744 999828402 /nfs/dbraw/zinc/82/84/02/999828402.db2.gz JJBGDIKXPJNYJQ-UHFFFAOYSA-N 1 3 421.585 3.528 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489774033 999835648 /nfs/dbraw/zinc/83/56/48/999835648.db2.gz GINZFMGATFZCQT-OALUTQOASA-N 1 3 414.516 3.651 20 0 HHADHO COCCN(C)c1ccc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cn1 ZINC000480665492 999854398 /nfs/dbraw/zinc/85/43/98/999854398.db2.gz XRKJYAGWVILVSE-NHCUHLMSSA-N 1 3 410.606 3.932 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000489895356 999857481 /nfs/dbraw/zinc/85/74/81/999857481.db2.gz BFPBAKWHFAHWJG-UHFFFAOYSA-N 1 3 420.601 3.957 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695397 999861458 /nfs/dbraw/zinc/86/14/58/999861458.db2.gz JOSDBVHEBRKZET-HSALFYBXSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695397 999861460 /nfs/dbraw/zinc/86/14/60/999861460.db2.gz JOSDBVHEBRKZET-HSALFYBXSA-N 1 3 404.562 3.991 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000490354378 999943242 /nfs/dbraw/zinc/94/32/42/999943242.db2.gz LJHFCWVKOPBLOR-CEWLAPEOSA-N 1 3 417.395 3.926 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)N2CCCC2)cc1 ZINC000490620811 999985460 /nfs/dbraw/zinc/98/54/60/999985460.db2.gz DUFOUNDUGSMRDT-HSZRJFAPSA-N 1 3 410.562 3.894 20 0 HHADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490824967 1000012325 /nfs/dbraw/zinc/01/23/25/1000012325.db2.gz NPGOFOZVOSSTBP-UHFFFAOYSA-N 1 3 409.965 3.982 20 0 HHADHO OCC[NH+]1CCC(CN[C@@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000491032602 1000036840 /nfs/dbraw/zinc/03/68/40/1000036840.db2.gz CFWKXHLYMNOGJN-NRFANRHFSA-N 1 3 421.354 3.972 20 0 HHADHO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492376908 1000124302 /nfs/dbraw/zinc/12/43/02/1000124302.db2.gz PJZLNNLADQEQSQ-FBBABVLZSA-N 1 3 422.491 3.945 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492376907 1000124361 /nfs/dbraw/zinc/12/43/61/1000124361.db2.gz PJZLNNLADQEQSQ-DSKINZAPSA-N 1 3 422.491 3.945 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c(C)c2)CC1 ZINC000504490372 1000231320 /nfs/dbraw/zinc/23/13/20/1000231320.db2.gz UFSWHZAEHPBASG-UHFFFAOYSA-N 1 3 403.615 3.719 20 0 HHADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000495000978 1000771559 /nfs/dbraw/zinc/77/15/59/1000771559.db2.gz YLLUKZCATVLNFH-UZLBHIALSA-N 1 3 421.511 3.553 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000495000978 1000771563 /nfs/dbraw/zinc/77/15/63/1000771563.db2.gz YLLUKZCATVLNFH-UZLBHIALSA-N 1 3 421.511 3.553 20 0 HHADHO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000495000976 1000771712 /nfs/dbraw/zinc/77/17/12/1000771712.db2.gz YLLUKZCATVLNFH-OXQOHEQNSA-N 1 3 421.511 3.553 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000495000976 1000771717 /nfs/dbraw/zinc/77/17/17/1000771717.db2.gz YLLUKZCATVLNFH-OXQOHEQNSA-N 1 3 421.511 3.553 20 0 HHADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441031 1001013625 /nfs/dbraw/zinc/01/36/25/1001013625.db2.gz ZSQKYHWRLRKPTQ-WAOWUJCRSA-N 1 3 416.587 3.660 20 0 HHADHO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506055262 1001195430 /nfs/dbraw/zinc/19/54/30/1001195430.db2.gz BPSCQQOTLUIMTM-GOSISDBHSA-N 1 3 407.986 3.800 20 0 HHADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934170 1001601588 /nfs/dbraw/zinc/60/15/88/1001601588.db2.gz OIAKFMGUTURZTL-SFTDATJTSA-N 1 3 422.683 3.644 20 0 HHADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934170 1001601592 /nfs/dbraw/zinc/60/15/92/1001601592.db2.gz OIAKFMGUTURZTL-SFTDATJTSA-N 1 3 422.683 3.644 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000498382469 1001812425 /nfs/dbraw/zinc/81/24/25/1001812425.db2.gz CRESJFJGDXVRAA-GLCCWIKHSA-N 1 3 400.611 3.802 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000498382469 1001812434 /nfs/dbraw/zinc/81/24/34/1001812434.db2.gz CRESJFJGDXVRAA-GLCCWIKHSA-N 1 3 400.611 3.802 20 0 HHADHO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000507533042 1002141657 /nfs/dbraw/zinc/14/16/57/1002141657.db2.gz SSZGWOJWGVLPQG-ZKMPZPQNSA-N 1 3 403.570 3.791 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)c(OCC)c2)CC1 ZINC000507617608 1002222863 /nfs/dbraw/zinc/22/28/63/1002222863.db2.gz HCIJYRDFVYMYNY-SFHVURJKSA-N 1 3 404.599 3.723 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000499112096 1002502267 /nfs/dbraw/zinc/50/22/67/1002502267.db2.gz NWOSUVKYAZXSPZ-CDPNLFKUSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000499112096 1002502274 /nfs/dbraw/zinc/50/22/74/1002502274.db2.gz NWOSUVKYAZXSPZ-CDPNLFKUSA-N 1 3 408.590 3.888 20 0 HHADHO Fc1cccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139403 1002524761 /nfs/dbraw/zinc/52/47/61/1002524761.db2.gz OXBNAPADZGLAIV-FXSWLTOZSA-N 1 3 423.576 3.984 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCN2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141367 1002525423 /nfs/dbraw/zinc/52/54/23/1002525423.db2.gz LJQDFLGUZVERJM-ROPJFGRJSA-N 1 3 418.629 3.984 20 0 HHADHO Fc1ccc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153064 1002536630 /nfs/dbraw/zinc/53/66/30/1002536630.db2.gz QQFWESJJDOQJAU-FXSWLTOZSA-N 1 3 423.576 3.984 20 0 HHADHO C[C@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)CCO1 ZINC000499164059 1002550326 /nfs/dbraw/zinc/55/03/26/1002550326.db2.gz YXYQLPRCDOGRNK-LSUHJGNXSA-N 1 3 406.574 3.592 20 0 HHADHO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499194230 1002584013 /nfs/dbraw/zinc/58/40/13/1002584013.db2.gz QWTHEFDTCCTOFY-IITNATTFSA-N 1 3 402.542 3.570 20 0 HHADHO C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221120 1002606844 /nfs/dbraw/zinc/60/68/44/1002606844.db2.gz CYASOIIQNAEJGW-DAANFHMWSA-N 1 3 418.629 3.982 20 0 HHADHO C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221120 1002606852 /nfs/dbraw/zinc/60/68/52/1002606852.db2.gz CYASOIIQNAEJGW-DAANFHMWSA-N 1 3 418.629 3.982 20 0 HHADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499236402 1002627069 /nfs/dbraw/zinc/62/70/69/1002627069.db2.gz XRDAJOYBKRMABH-ZEEZOPKCSA-N 1 3 419.613 3.655 20 0 HHADHO C[C@H]1CCC[C@@H](OCCCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000499384176 1002775666 /nfs/dbraw/zinc/77/56/66/1002775666.db2.gz NUAVLPAUUFHYBN-NZQKXSOJSA-N 1 3 407.643 3.817 20 0 HHADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693531 1003130916 /nfs/dbraw/zinc/13/09/16/1003130916.db2.gz CYAQCZZDIGLNNW-CUYJMHBOSA-N 1 3 406.618 3.697 20 0 HHADHO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508716820 1003156781 /nfs/dbraw/zinc/15/67/81/1003156781.db2.gz LFJRDIGJZYALLF-OPHFCASCSA-N 1 3 411.565 3.699 20 0 HHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875269 1003295174 /nfs/dbraw/zinc/29/51/74/1003295174.db2.gz BVOGYZCJBOSYKV-YHYVQYDKSA-N 1 3 400.542 3.727 20 0 HHADHO CN(C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899237 1003331701 /nfs/dbraw/zinc/33/17/01/1003331701.db2.gz SZNXJERRRNROKK-UNMCSNQZSA-N 1 3 419.491 3.860 20 0 HHADHO CN(C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899237 1003331688 /nfs/dbraw/zinc/33/16/88/1003331688.db2.gz SZNXJERRRNROKK-UNMCSNQZSA-N 1 3 419.491 3.860 20 0 HHADHO CC[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N1CCc2ccccc2C1 ZINC000500104579 1003466335 /nfs/dbraw/zinc/46/63/35/1003466335.db2.gz PLWPSLHEPUGWRX-VWLOTQADSA-N 1 3 420.601 3.919 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000500113971 1003475970 /nfs/dbraw/zinc/47/59/70/1003475970.db2.gz HMLBAWYQQLLKOR-UHFFFAOYSA-N 1 3 410.562 3.681 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137289 1003497451 /nfs/dbraw/zinc/49/74/51/1003497451.db2.gz APELLRRKFKZSSU-NFBKMPQASA-N 1 3 418.626 3.744 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137289 1003497457 /nfs/dbraw/zinc/49/74/57/1003497457.db2.gz APELLRRKFKZSSU-NFBKMPQASA-N 1 3 418.626 3.744 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000500763147 1003942939 /nfs/dbraw/zinc/94/29/39/1003942939.db2.gz KYQHPBVVHMZRJQ-QHCPKHFHSA-N 1 3 400.611 3.895 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1 ZINC000512036668 1003972183 /nfs/dbraw/zinc/97/21/83/1003972183.db2.gz ATCHADWDCDDXFL-IAGOWNOFSA-N 1 3 410.484 3.870 20 0 HHADHO CC[NH+]1CCN(Cc2ccccc2CNCc2cscc2Br)CC1 ZINC000512086777 1004012646 /nfs/dbraw/zinc/01/26/46/1004012646.db2.gz GQGVVSMJMQBNMM-UHFFFAOYSA-N 1 3 408.409 3.938 20 0 HHADHO CN(CC(=O)N1CCC(Cc2ccccc2)CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501055412 1004157701 /nfs/dbraw/zinc/15/77/01/1004157701.db2.gz WGEWRSJWJQJNSF-UHFFFAOYSA-N 1 3 420.601 3.711 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279435 1004181384 /nfs/dbraw/zinc/18/13/84/1004181384.db2.gz TZFIBVOMYFDKMU-AREMUKBSSA-N 1 3 417.553 3.661 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279435 1004181391 /nfs/dbraw/zinc/18/13/91/1004181391.db2.gz TZFIBVOMYFDKMU-AREMUKBSSA-N 1 3 417.553 3.661 20 0 HHADHO CC[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000501351505 1004361552 /nfs/dbraw/zinc/36/15/52/1004361552.db2.gz LKOMYNLTFNQVKZ-JOCHJYFZSA-N 1 3 424.589 3.722 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)N2CCCC2)c1 ZINC000501402314 1004394562 /nfs/dbraw/zinc/39/45/62/1004394562.db2.gz YUHPFYIUJZUHFK-GOTSBHOMSA-N 1 3 416.610 3.642 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634554 1004447170 /nfs/dbraw/zinc/44/71/70/1004447170.db2.gz DOCRSMKSXKJTKE-ICDZXHCJSA-N 1 3 421.585 3.544 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512634554 1004447176 /nfs/dbraw/zinc/44/71/76/1004447176.db2.gz DOCRSMKSXKJTKE-ICDZXHCJSA-N 1 3 421.585 3.544 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)nc(C)n1 ZINC000512646887 1004457849 /nfs/dbraw/zinc/45/78/49/1004457849.db2.gz DXVFLLNVKUKELA-ZKMPZPQNSA-N 1 3 419.617 3.953 20 0 HHADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512669877 1004479568 /nfs/dbraw/zinc/47/95/68/1004479568.db2.gz ZVFMTTUFASVAAL-OAQYLSRUSA-N 1 3 407.549 3.916 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000501533510 1004496636 /nfs/dbraw/zinc/49/66/36/1004496636.db2.gz AROXWEFMDFLEPE-NRFANRHFSA-N 1 3 416.928 3.828 20 0 HHADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000512719140 1004516404 /nfs/dbraw/zinc/51/64/04/1004516404.db2.gz YVLCCRUTOQCWLW-UHFFFAOYSA-N 1 3 423.479 3.855 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000512820773 1004579894 /nfs/dbraw/zinc/57/98/94/1004579894.db2.gz NTNUNYIWNVYTPP-JTHBVZDNSA-N 1 3 416.610 3.736 20 0 HHADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488128 1004605610 /nfs/dbraw/zinc/60/56/10/1004605610.db2.gz GLHRRUZZLIPRSG-FPOVZHCZSA-N 1 3 412.622 3.776 20 0 HHADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488128 1004605615 /nfs/dbraw/zinc/60/56/15/1004605615.db2.gz GLHRRUZZLIPRSG-FPOVZHCZSA-N 1 3 412.622 3.776 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552043 1004689719 /nfs/dbraw/zinc/68/97/19/1004689719.db2.gz VEIGZQZWRGCADX-RDPSFJRHSA-N 1 3 408.590 3.558 20 0 HHADHO O=C(NCCC[NH2+]C1CCN(C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000513052176 1004780529 /nfs/dbraw/zinc/78/05/29/1004780529.db2.gz PJROCGPYFBIHBY-UHFFFAOYSA-N 1 3 422.411 3.956 20 0 HHADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000510840550 1004885552 /nfs/dbraw/zinc/88/55/52/1004885552.db2.gz GAVKNYNPWHIWJQ-NRFANRHFSA-N 1 3 401.501 3.887 20 0 HHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@H]21 ZINC000513659788 1005070368 /nfs/dbraw/zinc/07/03/68/1005070368.db2.gz DFIYNZOZFXAOLQ-TXCZRRACSA-N 1 3 402.892 3.795 20 0 HHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H]2CCC[C@H]21 ZINC000513659788 1005070375 /nfs/dbraw/zinc/07/03/75/1005070375.db2.gz DFIYNZOZFXAOLQ-TXCZRRACSA-N 1 3 402.892 3.795 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000511253162 1005093137 /nfs/dbraw/zinc/09/31/37/1005093137.db2.gz NENDJAYBUVDURX-JOCHJYFZSA-N 1 3 420.601 3.981 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511253162 1005093140 /nfs/dbraw/zinc/09/31/40/1005093140.db2.gz NENDJAYBUVDURX-JOCHJYFZSA-N 1 3 420.601 3.981 20 0 HHADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513733873 1005101719 /nfs/dbraw/zinc/10/17/19/1005101719.db2.gz XFBYGFGKHWBQCQ-UHFFFAOYSA-N 1 3 422.617 3.941 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000513756464 1005111523 /nfs/dbraw/zinc/11/15/23/1005111523.db2.gz GFJNPSMWDDRAPA-XMMPIXPASA-N 1 3 409.574 3.549 20 0 HHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCc3c2cccc3Br)c1 ZINC000513859797 1005162365 /nfs/dbraw/zinc/16/23/65/1005162365.db2.gz PWMQTKVBJPOJPI-FQEVSTJZSA-N 1 3 416.363 3.518 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc4c(ccc5ccccc45)o3)CC2)CC1 ZINC000511498139 1005201822 /nfs/dbraw/zinc/20/18/22/1005201822.db2.gz JBXGNAUYJAPFRF-UHFFFAOYSA-N 1 3 405.542 3.803 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000511505718 1005204415 /nfs/dbraw/zinc/20/44/15/1005204415.db2.gz FCLFKLVIRXNGPQ-NHCUHLMSSA-N 1 3 405.533 3.621 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000502814597 1005228709 /nfs/dbraw/zinc/22/87/09/1005228709.db2.gz YNSMGMGUVYMFKY-DEOSSOPVSA-N 1 3 408.590 3.904 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000502829074 1005235524 /nfs/dbraw/zinc/23/55/24/1005235524.db2.gz PVEPKWSZWMDKCZ-MQSCRBSSSA-N 1 3 400.611 3.708 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000502843700 1005241438 /nfs/dbraw/zinc/24/14/38/1005241438.db2.gz JPRXXRPXNIPTDH-REWPJTCUSA-N 1 3 416.610 3.786 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000502843700 1005241443 /nfs/dbraw/zinc/24/14/43/1005241443.db2.gz JPRXXRPXNIPTDH-REWPJTCUSA-N 1 3 416.610 3.786 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000502856235 1005245920 /nfs/dbraw/zinc/24/59/20/1005245920.db2.gz AGWIVYCQPYTGKC-HXUWFJFHSA-N 1 3 400.611 3.635 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000502856235 1005245927 /nfs/dbraw/zinc/24/59/27/1005245927.db2.gz AGWIVYCQPYTGKC-HXUWFJFHSA-N 1 3 400.611 3.635 20 0 HHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000514154830 1005292098 /nfs/dbraw/zinc/29/20/98/1005292098.db2.gz YTCFQHWIZDKDMR-VWLOTQADSA-N 1 3 420.601 3.611 20 0 HHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000514154830 1005292103 /nfs/dbraw/zinc/29/21/03/1005292103.db2.gz YTCFQHWIZDKDMR-VWLOTQADSA-N 1 3 420.601 3.611 20 0 HHADHO Cc1ccccc1C[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514185038 1005302996 /nfs/dbraw/zinc/30/29/96/1005302996.db2.gz BUTZNGHGDLBPQV-RUZDIDTESA-N 1 3 405.586 3.914 20 0 HHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000503053087 1005329218 /nfs/dbraw/zinc/32/92/18/1005329218.db2.gz JTJXJORWOUMWQQ-LJQANCHMSA-N 1 3 418.651 3.777 20 0 HHADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110581 1005349796 /nfs/dbraw/zinc/34/97/96/1005349796.db2.gz MEDCIQOFCUOXGS-HSZRJFAPSA-N 1 3 406.574 3.567 20 0 HHADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)o1 ZINC000504024419 1005535144 /nfs/dbraw/zinc/53/51/44/1005535144.db2.gz JMEOXTRXKBKSNR-FQEVSTJZSA-N 1 3 401.526 3.530 20 0 HHADHO CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000504084878 1005549093 /nfs/dbraw/zinc/54/90/93/1005549093.db2.gz MEHZGLVJFLWFHZ-UHFFFAOYSA-N 1 3 409.578 3.706 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000504398766 1005618719 /nfs/dbraw/zinc/61/87/19/1005618719.db2.gz IICGTWCVBORQJI-OAQYLSRUSA-N 1 3 423.605 3.587 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000504398766 1005618721 /nfs/dbraw/zinc/61/87/21/1005618721.db2.gz IICGTWCVBORQJI-OAQYLSRUSA-N 1 3 423.605 3.587 20 0 HHADHO CN(c1ccccc1CNCc1cccc(CN2CCCC2=O)c1)C1CC[NH+](C)CC1 ZINC000531848208 1006469010 /nfs/dbraw/zinc/46/90/10/1006469010.db2.gz UGFLIMWFDGKQAY-UHFFFAOYSA-N 1 3 420.601 3.629 20 0 HHADHO CCCOc1c(Cl)cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532016089 1006578021 /nfs/dbraw/zinc/57/80/21/1006578021.db2.gz PLGJROULZYIOEY-WOJBJXKFSA-N 1 3 410.986 3.995 20 0 HHADHO CCCOc1c(Cl)cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532016087 1006578116 /nfs/dbraw/zinc/57/81/16/1006578116.db2.gz PLGJROULZYIOEY-UXHICEINSA-N 1 3 410.986 3.995 20 0 HHADHO COc1ccc([C@H](NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000538390996 1006660439 /nfs/dbraw/zinc/66/04/39/1006660439.db2.gz IGKBLHPKUGTARQ-RUZDIDTESA-N 1 3 407.558 3.648 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874123 1006729570 /nfs/dbraw/zinc/72/95/70/1006729570.db2.gz FDENRCGDCCAHII-YADARESESA-N 1 3 410.558 3.651 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874123 1006729578 /nfs/dbraw/zinc/72/95/78/1006729578.db2.gz FDENRCGDCCAHII-YADARESESA-N 1 3 410.558 3.651 20 0 HHADHO C[NH+](C)CCC1CCN([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000538465483 1006735119 /nfs/dbraw/zinc/73/51/19/1006735119.db2.gz BFANDDGBZWXRGQ-FQEVSTJZSA-N 1 3 411.512 3.860 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000532485021 1006925767 /nfs/dbraw/zinc/92/57/67/1006925767.db2.gz GCAKCXKDDFXETN-MRXNPFEDSA-N 1 3 413.484 3.657 20 0 HHADHO COc1ccc([C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)cc1 ZINC000516238896 1006968325 /nfs/dbraw/zinc/96/83/25/1006968325.db2.gz FRJNPPLOMGHKGR-VWLOTQADSA-N 1 3 421.585 3.861 20 0 HHADHO C[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000538724318 1007002619 /nfs/dbraw/zinc/00/26/19/1007002619.db2.gz DPRIXBFTKQZLAU-UTKZUKDTSA-N 1 3 403.517 3.899 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000538724318 1007002631 /nfs/dbraw/zinc/00/26/31/1007002631.db2.gz DPRIXBFTKQZLAU-UTKZUKDTSA-N 1 3 403.517 3.899 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734520 1007016276 /nfs/dbraw/zinc/01/62/76/1007016276.db2.gz HSTABCBIAVQCJY-LOSJGSFVSA-N 1 3 405.586 3.750 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734519 1007016553 /nfs/dbraw/zinc/01/65/53/1007016553.db2.gz HSTABCBIAVQCJY-JWQCQUIFSA-N 1 3 405.586 3.750 20 0 HHADHO CN(c1ccccc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1)C1CC[NH+](C)CC1 ZINC000538760144 1007043756 /nfs/dbraw/zinc/04/37/56/1007043756.db2.gz UQYWAJWDIHRPCY-HXUWFJFHSA-N 1 3 409.578 3.857 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000535090087 1007103359 /nfs/dbraw/zinc/10/33/59/1007103359.db2.gz XPHWJHPXTBBOAH-UHFFFAOYSA-N 1 3 421.463 3.543 20 0 HHADHO CN1CCN(c2cccc(Cl)c2CNCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000538851820 1007125058 /nfs/dbraw/zinc/12/50/58/1007125058.db2.gz DVUZSIZURLGNBH-UHFFFAOYSA-N 1 3 413.009 3.977 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538942346 1007225688 /nfs/dbraw/zinc/22/56/88/1007225688.db2.gz DHGRBGRWUWHMFT-OAQYLSRUSA-N 1 3 408.590 3.975 20 0 HHADHO Clc1cccc(-n2cc(CNCC3CCN(c4cc[nH+]cc4)CC3)nn2)c1Cl ZINC000538967530 1007257933 /nfs/dbraw/zinc/25/79/33/1007257933.db2.gz BKPATAUMAOGTDT-UHFFFAOYSA-N 1 3 417.344 3.975 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062582 1007355539 /nfs/dbraw/zinc/35/55/39/1007355539.db2.gz WPTDINBUUCWADK-GUDVDZBRSA-N 1 3 409.368 3.630 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000533038187 1007398853 /nfs/dbraw/zinc/39/88/53/1007398853.db2.gz XAROVNQFJVOUFF-JOCHJYFZSA-N 1 3 421.633 3.929 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119369 1007464383 /nfs/dbraw/zinc/46/43/83/1007464383.db2.gz PWRNWGNYBBABJK-VTZPFEBOSA-N 1 3 420.601 3.711 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119369 1007464392 /nfs/dbraw/zinc/46/43/92/1007464392.db2.gz PWRNWGNYBBABJK-VTZPFEBOSA-N 1 3 420.601 3.711 20 0 HHADHO CC(C)[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163868 1007464539 /nfs/dbraw/zinc/46/45/39/1007464539.db2.gz JWQKLMVNZVPLJG-QHCPKHFHSA-N 1 3 408.546 3.768 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCC(=O)N1CCc3ccccc31)c1ccccc1O2 ZINC000539395704 1007701669 /nfs/dbraw/zinc/70/16/69/1007701669.db2.gz YUVVAMQLJHLNJY-QFIPXVFZSA-N 1 3 419.569 3.934 20 0 HHADHO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1CCC(Cc2ccccc2)CC1 ZINC000517664998 1007877727 /nfs/dbraw/zinc/87/77/27/1007877727.db2.gz MSGAYGWMGXEJBD-OAQYLSRUSA-N 1 3 423.601 3.586 20 0 HHADHO Cc1ncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1-c1ccccc1 ZINC000539823774 1008118515 /nfs/dbraw/zinc/11/85/15/1008118515.db2.gz QRDYIJVXTHSDJN-UHFFFAOYSA-N 1 3 409.622 3.809 20 0 HHADHO CN(C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000533808726 1008126871 /nfs/dbraw/zinc/12/68/71/1008126871.db2.gz DVOVNOZYPUFUTC-XMMPIXPASA-N 1 3 408.590 3.645 20 0 HHADHO Cn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000539860136 1008145771 /nfs/dbraw/zinc/14/57/71/1008145771.db2.gz RMLWNMZJCQFEDH-UHFFFAOYSA-N 1 3 423.630 3.836 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094721 1008155972 /nfs/dbraw/zinc/15/59/72/1008155972.db2.gz UYLITJKGQZHJQZ-GGAORHGYSA-N 1 3 416.610 3.738 20 0 HHADHO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045471 1008254756 /nfs/dbraw/zinc/25/47/56/1008254756.db2.gz PAOPDFVUXPZNSB-PMACEKPBSA-N 1 3 406.574 3.986 20 0 HHADHO CC[NH+](CC)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000540066152 1008268580 /nfs/dbraw/zinc/26/85/80/1008268580.db2.gz MIOVHJUQFRWGDI-UHFFFAOYSA-N 1 3 401.624 3.749 20 0 HHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000540172729 1008322241 /nfs/dbraw/zinc/32/22/41/1008322241.db2.gz UMHYAPWPOWZWIK-PMPSAXMXSA-N 1 3 401.364 3.998 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612973 1008365465 /nfs/dbraw/zinc/36/54/65/1008365465.db2.gz OBEPLZXDIOUAAE-VQTJNVASSA-N 1 3 404.624 3.791 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](COC)c3ccc(F)c(F)c3)cc2)CC1 ZINC000540405550 1008419040 /nfs/dbraw/zinc/41/90/40/1008419040.db2.gz ABDHTGFLSYICBD-HSZRJFAPSA-N 1 3 403.517 3.580 20 0 HHADHO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000540494132 1008454271 /nfs/dbraw/zinc/45/42/71/1008454271.db2.gz QAFLKYLYLNLBDV-FPOVZHCZSA-N 1 3 407.558 3.852 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000519362095 1008760650 /nfs/dbraw/zinc/76/06/50/1008760650.db2.gz PNPGOACTNVJJEC-HSZRJFAPSA-N 1 3 409.549 3.950 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000519363613 1008763447 /nfs/dbraw/zinc/76/34/47/1008763447.db2.gz JXFMEGYVEWOWNE-QHCPKHFHSA-N 1 3 409.549 3.950 20 0 HHADHO CCOC(=O)[C@@H]1CC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229415 1008798709 /nfs/dbraw/zinc/79/87/09/1008798709.db2.gz UPLXFXJNHXGNSM-JWQCQUIFSA-N 1 3 422.569 3.915 20 0 HHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000549229415 1008798737 /nfs/dbraw/zinc/79/87/37/1008798737.db2.gz UPLXFXJNHXGNSM-JWQCQUIFSA-N 1 3 422.569 3.915 20 0 HHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507032 1008879250 /nfs/dbraw/zinc/87/92/50/1008879250.db2.gz JXMLGSWVAWXBLI-KRWDZBQOSA-N 1 3 410.553 3.549 20 0 HHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507032 1008879262 /nfs/dbraw/zinc/87/92/62/1008879262.db2.gz JXMLGSWVAWXBLI-KRWDZBQOSA-N 1 3 410.553 3.549 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460038 1009045326 /nfs/dbraw/zinc/04/53/26/1009045326.db2.gz GHVSZNLYWPTAIO-RLFYNMQTSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460038 1009045345 /nfs/dbraw/zinc/04/53/45/1009045345.db2.gz GHVSZNLYWPTAIO-RLFYNMQTSA-N 1 3 401.378 3.976 20 0 HHADHO CN1CC[NH+](CC2(C)CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)CC1 ZINC000543523868 1009115065 /nfs/dbraw/zinc/11/50/65/1009115065.db2.gz WNVQMXAJJZJAGQ-UHFFFAOYSA-N 1 3 420.601 3.788 20 0 HHADHO Cc1nc(C(C)C)ccc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000549525154 1009134872 /nfs/dbraw/zinc/13/48/72/1009134872.db2.gz UEZHSOIJVTUZJA-UHFFFAOYSA-N 1 3 400.611 3.718 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000546199056 1009226644 /nfs/dbraw/zinc/22/66/44/1009226644.db2.gz FPNPCZDNBVSQIZ-RBUKOAKNSA-N 1 3 422.411 3.825 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)N(C)C)cc1 ZINC000520127187 1009280628 /nfs/dbraw/zinc/28/06/28/1009280628.db2.gz DTSUKMLENNMUCB-QHCPKHFHSA-N 1 3 414.569 3.764 20 0 HHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000543713887 1009316470 /nfs/dbraw/zinc/31/64/70/1009316470.db2.gz OGAZZXKMXBNMCV-HSZRJFAPSA-N 1 3 422.573 3.568 20 0 HHADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867943 1009487138 /nfs/dbraw/zinc/48/71/38/1009487138.db2.gz JFBPICAYHPPYCC-AQNXPRMDSA-N 1 3 412.496 3.615 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000544002966 1009603948 /nfs/dbraw/zinc/60/39/48/1009603948.db2.gz SRRVFVKPBYCZDB-CRAIPNDOSA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002966 1009603950 /nfs/dbraw/zinc/60/39/50/1009603950.db2.gz SRRVFVKPBYCZDB-CRAIPNDOSA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000544002966 1009603959 /nfs/dbraw/zinc/60/39/59/1009603959.db2.gz SRRVFVKPBYCZDB-CRAIPNDOSA-N 1 3 423.623 3.969 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000550105654 1009705098 /nfs/dbraw/zinc/70/50/98/1009705098.db2.gz QNKREZHGSOICSJ-BRXVMWLGSA-N 1 3 421.560 3.942 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000550105654 1009705105 /nfs/dbraw/zinc/70/51/05/1009705105.db2.gz QNKREZHGSOICSJ-BRXVMWLGSA-N 1 3 421.560 3.942 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)c(C)c2)CC1 ZINC000520782618 1009850583 /nfs/dbraw/zinc/85/05/83/1009850583.db2.gz YFKAOOPCUFCITG-BGYRXZFFSA-N 1 3 401.599 3.521 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c(C)c2)CC1 ZINC000520782618 1009850595 /nfs/dbraw/zinc/85/05/95/1009850595.db2.gz YFKAOOPCUFCITG-BGYRXZFFSA-N 1 3 401.599 3.521 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000521070516 1010087507 /nfs/dbraw/zinc/08/75/07/1010087507.db2.gz ZHFBPNMZAMHOIK-SFHVURJKSA-N 1 3 410.553 3.693 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000521070516 1010087519 /nfs/dbraw/zinc/08/75/19/1010087519.db2.gz ZHFBPNMZAMHOIK-SFHVURJKSA-N 1 3 410.553 3.693 20 0 HHADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000521168319 1010200961 /nfs/dbraw/zinc/20/09/61/1010200961.db2.gz PFEWIPQRJRAOIJ-HXUWFJFHSA-N 1 3 407.002 3.726 20 0 HHADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000521168319 1010200975 /nfs/dbraw/zinc/20/09/75/1010200975.db2.gz PFEWIPQRJRAOIJ-HXUWFJFHSA-N 1 3 407.002 3.726 20 0 HHADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H](n2cncn2)C1 ZINC000550882965 1010240363 /nfs/dbraw/zinc/24/03/63/1010240363.db2.gz UHAZVIASYNNCIX-AZOUXBGGSA-N 1 3 423.605 3.526 20 0 HHADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000547426727 1010299726 /nfs/dbraw/zinc/29/97/26/1010299726.db2.gz KJBBCSSFCBKAJR-BJKOFHAPSA-N 1 3 408.590 3.566 20 0 HHADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000547426727 1010299733 /nfs/dbraw/zinc/29/97/33/1010299733.db2.gz KJBBCSSFCBKAJR-BJKOFHAPSA-N 1 3 408.590 3.566 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547505272 1010331521 /nfs/dbraw/zinc/33/15/21/1010331521.db2.gz LNMLWCNHTLXHQR-WHLIWEHUSA-N 1 3 408.590 3.695 20 0 HHADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685921 1010549918 /nfs/dbraw/zinc/54/99/18/1010549918.db2.gz LIKYZGOKDQMKIR-SFHVURJKSA-N 1 3 414.516 3.511 20 0 HHADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685921 1010549928 /nfs/dbraw/zinc/54/99/28/1010549928.db2.gz LIKYZGOKDQMKIR-SFHVURJKSA-N 1 3 414.516 3.511 20 0 HHADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685755 1010550233 /nfs/dbraw/zinc/55/02/33/1010550233.db2.gz LIKYZGOKDQMKIR-GOSISDBHSA-N 1 3 414.516 3.511 20 0 HHADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000521685755 1010550243 /nfs/dbraw/zinc/55/02/43/1010550243.db2.gz LIKYZGOKDQMKIR-GOSISDBHSA-N 1 3 414.516 3.511 20 0 HHADHO COc1ccc(C[C@H](C)CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011151 1010554929 /nfs/dbraw/zinc/55/49/29/1010554929.db2.gz PGPLMGGNOTVWKV-NRFANRHFSA-N 1 3 413.581 3.763 20 0 HHADHO COc1ccc(C[C@H](C)CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000545011151 1010554938 /nfs/dbraw/zinc/55/49/38/1010554938.db2.gz PGPLMGGNOTVWKV-NRFANRHFSA-N 1 3 413.581 3.763 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000522051393 1010781162 /nfs/dbraw/zinc/78/11/62/1010781162.db2.gz UNFBBKIVCACHQK-RUZDIDTESA-N 1 3 420.601 3.542 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522162358 1010841223 /nfs/dbraw/zinc/84/12/23/1010841223.db2.gz ZJOQVAJWBPCWFT-RUZDIDTESA-N 1 3 420.601 3.986 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522869317 1011311251 /nfs/dbraw/zinc/31/12/51/1011311251.db2.gz OOWQKKSSNNDGEZ-RUZDIDTESA-N 1 3 420.601 3.986 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204447 1011349356 /nfs/dbraw/zinc/34/93/56/1011349356.db2.gz PTKDWHNELLROKK-SGNDLWITSA-N 1 3 422.573 3.577 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204447 1011349364 /nfs/dbraw/zinc/34/93/64/1011349364.db2.gz PTKDWHNELLROKK-SGNDLWITSA-N 1 3 422.573 3.577 20 0 HHADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536230704 1011379439 /nfs/dbraw/zinc/37/94/39/1011379439.db2.gz CUWURGLMIKVDJW-RBUKOAKNSA-N 1 3 414.516 3.738 20 0 HHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000523064862 1011534035 /nfs/dbraw/zinc/53/40/35/1011534035.db2.gz WMFXCQCXBWAEJB-QFIPXVFZSA-N 1 3 419.491 3.819 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991771 1011625460 /nfs/dbraw/zinc/62/54/60/1011625460.db2.gz KMKKEUCSBJFLKA-NQIIRXRSSA-N 1 3 406.448 3.929 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991771 1011625470 /nfs/dbraw/zinc/62/54/70/1011625470.db2.gz KMKKEUCSBJFLKA-NQIIRXRSSA-N 1 3 406.448 3.929 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000523219409 1011707834 /nfs/dbraw/zinc/70/78/34/1011707834.db2.gz XIWXWZZKPFIHLN-DNQXCXABSA-N 1 3 423.605 3.689 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000523219409 1011707851 /nfs/dbraw/zinc/70/78/51/1011707851.db2.gz XIWXWZZKPFIHLN-DNQXCXABSA-N 1 3 423.605 3.689 20 0 HHADHO CC(C)(CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000523302488 1011781339 /nfs/dbraw/zinc/78/13/39/1011781339.db2.gz OMBUMFNGEBPJFM-OAQYLSRUSA-N 1 3 411.512 3.822 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc2ccc(Cl)cn12 ZINC000536666837 1011819616 /nfs/dbraw/zinc/81/96/16/1011819616.db2.gz OWEDXRCXKYJZQO-UHFFFAOYSA-N 1 3 404.002 3.616 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@H](c3noc(C4CC4)n3)C2)CC1 ZINC000536704106 1011875094 /nfs/dbraw/zinc/87/50/94/1011875094.db2.gz QGSZJJACWYIQOH-OAQYLSRUSA-N 1 3 409.578 3.859 20 0 HHADHO CC1CC[NH+](CCc2cccc(NC(=O)N(CCN(C)C)Cc3ccccn3)c2)CC1 ZINC000536719545 1011894323 /nfs/dbraw/zinc/89/43/23/1011894323.db2.gz CTBNRYPABFHQIC-UHFFFAOYSA-N 1 3 423.605 3.952 20 0 HHADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724938 1011896956 /nfs/dbraw/zinc/89/69/56/1011896956.db2.gz XIJVAYLLIATETK-AUSIDOKSSA-N 1 3 422.573 3.648 20 0 HHADHO CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523524388 1012051474 /nfs/dbraw/zinc/05/14/74/1012051474.db2.gz KQWPCTOMECGMRA-DEOSSOPVSA-N 1 3 412.622 3.947 20 0 HHADHO Fc1ccc(CC[NH+]2CCC(NCCOc3ncccc3C(F)(F)F)CC2)cc1 ZINC000536839823 1012069587 /nfs/dbraw/zinc/06/95/87/1012069587.db2.gz QSWNFVHSOJSEDP-UHFFFAOYSA-N 1 3 411.443 3.915 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552057909 1012074284 /nfs/dbraw/zinc/07/42/84/1012074284.db2.gz MJTPEAVEYGAADN-XZOQPEGZSA-N 1 3 408.030 3.736 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000536863140 1012100226 /nfs/dbraw/zinc/10/02/26/1012100226.db2.gz MEBRRRUTZZIKRM-ROUUACIJSA-N 1 3 411.993 3.923 20 0 HHADHO C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552183630 1012197095 /nfs/dbraw/zinc/19/70/95/1012197095.db2.gz NEFHTTDKUDJQAO-HXUWFJFHSA-N 1 3 401.501 3.887 20 0 HHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000537000790 1012302479 /nfs/dbraw/zinc/30/24/79/1012302479.db2.gz SBDPHEUNTPYQNO-MRXNPFEDSA-N 1 3 421.994 3.550 20 0 HHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@@H]3C2)cc1 ZINC000552297621 1012309453 /nfs/dbraw/zinc/30/94/53/1012309453.db2.gz CKFFARKKXPNTCO-MNVIUDHYSA-N 1 3 408.546 3.667 20 0 HHADHO CN1CCC(CN[C@@H](c2cccnc2)c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000541542505 1012327698 /nfs/dbraw/zinc/32/76/98/1012327698.db2.gz CSYQFVQDUJYKEZ-QHCPKHFHSA-N 1 3 414.544 3.989 20 0 HHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000537487046 1012998204 /nfs/dbraw/zinc/99/82/04/1012998204.db2.gz GMYQAALFEWBQEF-UZLBHIALSA-N 1 3 407.480 3.645 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000571328345 1072604217 /nfs/dbraw/zinc/60/42/17/1072604217.db2.gz LHSRQWAKACXPOP-PBHICJAKSA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571328345 1072604220 /nfs/dbraw/zinc/60/42/20/1072604220.db2.gz LHSRQWAKACXPOP-PBHICJAKSA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000571328345 1072604226 /nfs/dbraw/zinc/60/42/26/1072604226.db2.gz LHSRQWAKACXPOP-PBHICJAKSA-N 1 3 409.596 3.579 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000571574768 1072661818 /nfs/dbraw/zinc/66/18/18/1072661818.db2.gz CIQJEUIEXKDYKC-YFNKSVMNSA-N 1 3 407.606 3.967 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709774 1073155361 /nfs/dbraw/zinc/15/53/61/1073155361.db2.gz DLLNLQTXJZFEMQ-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709774 1073155364 /nfs/dbraw/zinc/15/53/64/1073155364.db2.gz DLLNLQTXJZFEMQ-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709774 1073155370 /nfs/dbraw/zinc/15/53/70/1073155370.db2.gz DLLNLQTXJZFEMQ-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO CCc1nc(C)c([C@H](C)N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000572507896 1073290583 /nfs/dbraw/zinc/29/05/83/1073290583.db2.gz HKWUROMZZOCICH-KRWDZBQOSA-N 1 3 406.640 3.730 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@@H](C)O1 ZINC000590060530 1073535414 /nfs/dbraw/zinc/53/54/14/1073535414.db2.gz IXCFDMNOYMJCJV-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@@H](C)O1 ZINC000590060530 1073535425 /nfs/dbraw/zinc/53/54/25/1073535425.db2.gz IXCFDMNOYMJCJV-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000575165391 1075491894 /nfs/dbraw/zinc/49/18/94/1075491894.db2.gz JEKXWPYPKNHREL-UYAOXDASSA-N 1 3 406.640 3.893 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792897 721490326 /nfs/dbraw/zinc/49/03/26/721490326.db2.gz NLMKJPKBUIVWLA-UHFFFAOYSA-N 1 3 406.578 3.661 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792897 721490330 /nfs/dbraw/zinc/49/03/30/721490330.db2.gz NLMKJPKBUIVWLA-UHFFFAOYSA-N 1 3 406.578 3.661 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001165023255 721830530 /nfs/dbraw/zinc/83/05/30/721830530.db2.gz IKUTVQXIBBTPTN-NKKJXINNSA-N 1 3 405.590 3.809 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001165023255 721830531 /nfs/dbraw/zinc/83/05/31/721830531.db2.gz IKUTVQXIBBTPTN-NKKJXINNSA-N 1 3 405.590 3.809 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)cc2)CC1 ZINC000303000333 971445670 /nfs/dbraw/zinc/44/56/70/971445670.db2.gz OCLCJESJAAAUAG-VWLOTQADSA-N 1 3 420.601 3.784 20 0 HHADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177614 1013137625 /nfs/dbraw/zinc/13/76/25/1013137625.db2.gz JHKSBPXZBXWFCZ-GUDVDZBRSA-N 1 3 411.512 3.849 20 0 HHADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177614 1013137630 /nfs/dbraw/zinc/13/76/30/1013137630.db2.gz JHKSBPXZBXWFCZ-GUDVDZBRSA-N 1 3 411.512 3.849 20 0 HHADHO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000537621865 1013167243 /nfs/dbraw/zinc/16/72/43/1013167243.db2.gz GPCDMCTXVDAXAQ-NBGIEHNGSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000537621865 1013167254 /nfs/dbraw/zinc/16/72/54/1013167254.db2.gz GPCDMCTXVDAXAQ-NBGIEHNGSA-N 1 3 411.565 3.863 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)CC1 ZINC000553211092 1013172693 /nfs/dbraw/zinc/17/26/93/1013172693.db2.gz CSJSEEFLXUVKTP-FQEVSTJZSA-N 1 3 405.583 3.675 20 0 HHADHO Cc1ccc([C@@H]2CCN([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316192 1013272914 /nfs/dbraw/zinc/27/29/14/1013272914.db2.gz PXOVGQLMDAAJSR-XUZZJYLKSA-N 1 3 405.586 3.954 20 0 HHADHO Fc1ccc([C@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)cc1 ZINC000542476025 1013423524 /nfs/dbraw/zinc/42/35/24/1013423524.db2.gz SEDVCIYXVQKJHY-DEOSSOPVSA-N 1 3 405.521 3.507 20 0 HHADHO CCc1ccc([C@H]2CCCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000553534705 1013432249 /nfs/dbraw/zinc/43/22/49/1013432249.db2.gz ZWQXLBKIWJDKFW-QFIPXVFZSA-N 1 3 412.622 3.697 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(F)c4)CCCCC3)CC2)CC1 ZINC000050796972 964398654 /nfs/dbraw/zinc/39/86/54/964398654.db2.gz NVVZXEONDPTROO-UHFFFAOYSA-N 1 3 401.570 3.702 20 0 HHADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000050797007 964398988 /nfs/dbraw/zinc/39/89/88/964398988.db2.gz AJDXCNJZWPCWNM-INIZCTEOSA-N 1 3 411.512 3.874 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)CC1 ZINC000050798499 964399945 /nfs/dbraw/zinc/39/99/45/964399945.db2.gz AXHIGLBNCQWPLC-UHFFFAOYSA-N 1 3 409.361 3.763 20 0 HHADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051243516 964505227 /nfs/dbraw/zinc/50/52/27/964505227.db2.gz STEIVXMPCKPKHY-NRFANRHFSA-N 1 3 407.002 3.895 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)c4c3cccc4Cl)CC2)CC1 ZINC000051761144 964690045 /nfs/dbraw/zinc/69/00/45/964690045.db2.gz FGNLMZCEPFVPGU-UHFFFAOYSA-N 1 3 404.986 3.706 20 0 HHADHO C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681504 1013543037 /nfs/dbraw/zinc/54/30/37/1013543037.db2.gz PAOLFIPELXHLLD-UNMCSNQZSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681504 1013543042 /nfs/dbraw/zinc/54/30/42/1013543042.db2.gz PAOLFIPELXHLLD-UNMCSNQZSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000058883943 965940288 /nfs/dbraw/zinc/94/02/88/965940288.db2.gz DYUFHPDPOTVLCG-MHXAIHSWSA-N 1 3 401.570 3.902 20 0 HHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000058883943 965940296 /nfs/dbraw/zinc/94/02/96/965940296.db2.gz DYUFHPDPOTVLCG-MHXAIHSWSA-N 1 3 401.570 3.902 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000061550710 966497202 /nfs/dbraw/zinc/49/72/02/966497202.db2.gz GIXXWYRJHIIDFE-UHFFFAOYSA-N 1 3 408.590 3.776 20 0 HHADHO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061793351 966557717 /nfs/dbraw/zinc/55/77/17/966557717.db2.gz YJTQDLLTELPSMP-UHFFFAOYSA-N 1 3 404.624 3.666 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3c2cccc3Br)cc1 ZINC000538115328 1013677263 /nfs/dbraw/zinc/67/72/63/1013677263.db2.gz QZGFYYBIHCEHRQ-FQEVSTJZSA-N 1 3 416.363 3.518 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCC[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000043522920 966991856 /nfs/dbraw/zinc/99/18/56/966991856.db2.gz RNUBXIDOINSPED-UHFFFAOYSA-N 1 3 401.599 3.525 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848722 1013707137 /nfs/dbraw/zinc/70/71/37/1013707137.db2.gz AYGYBKIWHFLYSD-NTKDMRAZSA-N 1 3 407.558 3.621 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848722 1013707138 /nfs/dbraw/zinc/70/71/38/1013707138.db2.gz AYGYBKIWHFLYSD-NTKDMRAZSA-N 1 3 407.558 3.621 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)c(C)c2)CC1 ZINC000047373282 968162528 /nfs/dbraw/zinc/16/25/28/968162528.db2.gz ZWTABKLRNXJAHD-UHFFFAOYSA-N 1 3 413.610 3.619 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000071919685 968889804 /nfs/dbraw/zinc/88/98/04/968889804.db2.gz QMXLEQNZNWBPTF-XJUOHMSHSA-N 1 3 400.611 3.881 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000071919685 968889814 /nfs/dbraw/zinc/88/98/14/968889814.db2.gz QMXLEQNZNWBPTF-XJUOHMSHSA-N 1 3 400.611 3.881 20 0 HHADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000108413408 969380960 /nfs/dbraw/zinc/38/09/60/969380960.db2.gz LEHDEXBXUFEGPD-HXUWFJFHSA-N 1 3 418.582 3.798 20 0 HHADHO CC(C)CCOc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000215998868 970059597 /nfs/dbraw/zinc/05/95/97/970059597.db2.gz FTEVDPJILCWFHE-UHFFFAOYSA-N 1 3 402.583 3.792 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000236798911 970173179 /nfs/dbraw/zinc/17/31/79/970173179.db2.gz GZJKOSIRLLWDJS-UHFFFAOYSA-N 1 3 414.638 3.735 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236840392 970179554 /nfs/dbraw/zinc/17/95/54/970179554.db2.gz GEPDKPDKQPWVKT-OAQYLSRUSA-N 1 3 409.622 3.588 20 0 HHADHO CCc1nn(C)c(Cl)c1CNCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237058748 970215455 /nfs/dbraw/zinc/21/54/55/970215455.db2.gz NIBSJDFUNMRZCW-UHFFFAOYSA-N 1 3 404.002 3.636 20 0 HHADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000237176570 970235745 /nfs/dbraw/zinc/23/57/45/970235745.db2.gz GGLKMTLZMFINFS-INIZCTEOSA-N 1 3 404.352 3.855 20 0 HHADHO C[N@@H+]1CCCN(CCCNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000237173447 970235928 /nfs/dbraw/zinc/23/59/28/970235928.db2.gz RXFHWIBGRKRTCD-UHFFFAOYSA-N 1 3 412.525 3.946 20 0 HHADHO C[N@H+]1CCCN(CCCNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000237173447 970235930 /nfs/dbraw/zinc/23/59/30/970235930.db2.gz RXFHWIBGRKRTCD-UHFFFAOYSA-N 1 3 412.525 3.946 20 0 HHADHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OCc1ccccc1 ZINC000237354715 970269013 /nfs/dbraw/zinc/26/90/13/970269013.db2.gz YYIBLZYLDYKQLV-UHFFFAOYSA-N 1 3 423.601 3.922 20 0 HHADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)c2cc1C ZINC000554540717 1013973963 /nfs/dbraw/zinc/97/39/63/1013973963.db2.gz FMGXGZHMWJYQCE-AKIFATBCSA-N 1 3 406.574 3.514 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000237675330 970336913 /nfs/dbraw/zinc/33/69/13/970336913.db2.gz QRHOAWBUOZRAGI-UHFFFAOYSA-N 1 3 405.464 3.821 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000237746291 970353507 /nfs/dbraw/zinc/35/35/07/970353507.db2.gz HYNUOHVIIHPFSC-UHFFFAOYSA-N 1 3 421.463 3.701 20 0 HHADHO C[C@H]1C[NH+](CCCCNCc2csc(-c3ccc4c(c3)OCO4)n2)C[C@H](C)O1 ZINC000237774439 970363493 /nfs/dbraw/zinc/36/34/93/970363493.db2.gz OUIXNCSCYFOAKB-HOTGVXAUSA-N 1 3 403.548 3.518 20 0 HHADHO COc1c(Br)cc(Br)cc1CNCC1=CC[N@H+](C)CC1 ZINC000392273679 972851490 /nfs/dbraw/zinc/85/14/90/972851490.db2.gz FGUXSKSBNBQHOM-UHFFFAOYSA-N 1 3 404.146 3.572 20 0 HHADHO COc1c(Br)cc(Br)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000392273679 972851498 /nfs/dbraw/zinc/85/14/98/972851498.db2.gz FGUXSKSBNBQHOM-UHFFFAOYSA-N 1 3 404.146 3.572 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000398164275 972876829 /nfs/dbraw/zinc/87/68/29/972876829.db2.gz SRXLERZEWMWTEX-HBGVWJBISA-N 1 3 403.364 3.983 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000398164275 972876837 /nfs/dbraw/zinc/87/68/37/972876837.db2.gz SRXLERZEWMWTEX-HBGVWJBISA-N 1 3 403.364 3.983 20 0 HHADHO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427674023 975233968 /nfs/dbraw/zinc/23/39/68/975233968.db2.gz YRNVGJIQGBTYQN-XJUOHMSHSA-N 1 3 418.622 3.761 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000429068007 976353576 /nfs/dbraw/zinc/35/35/76/976353576.db2.gz BHTAPUNCWHYUDQ-REHUZNOOSA-N 1 3 421.589 3.742 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000429068007 976353584 /nfs/dbraw/zinc/35/35/84/976353584.db2.gz BHTAPUNCWHYUDQ-REHUZNOOSA-N 1 3 421.589 3.742 20 0 HHADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1Br ZINC000429448005 976725110 /nfs/dbraw/zinc/72/51/10/976725110.db2.gz SSPYDUREZFVGTP-KRWDZBQOSA-N 1 3 409.412 3.987 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827725 977783593 /nfs/dbraw/zinc/78/35/93/977783593.db2.gz OHTCJGDOLIMUGV-FGCOXFRFSA-N 1 3 412.574 3.558 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827725 977783599 /nfs/dbraw/zinc/78/35/99/977783599.db2.gz OHTCJGDOLIMUGV-FGCOXFRFSA-N 1 3 412.574 3.558 20 0 HHADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000431922377 978603013 /nfs/dbraw/zinc/60/30/13/978603013.db2.gz JHSMFHBXUKQSQM-VWLOTQADSA-N 1 3 422.617 3.706 20 0 HHADHO C[C@H](C(=O)NCCc1cccs1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051985 979052961 /nfs/dbraw/zinc/05/29/61/979052961.db2.gz JMCNKUFJLCSTQH-HXUWFJFHSA-N 1 3 411.615 3.783 20 0 HHADHO COc1ccc(CN(C)C(=O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433072430 979058594 /nfs/dbraw/zinc/05/85/94/979058594.db2.gz BRNXYJPUUGKZDX-UHFFFAOYSA-N 1 3 421.585 3.642 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000448400994 981754322 /nfs/dbraw/zinc/75/43/22/981754322.db2.gz BVDJJDMFKOTTOO-OAQYLSRUSA-N 1 3 418.651 3.767 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000448400994 981754331 /nfs/dbraw/zinc/75/43/31/981754331.db2.gz BVDJJDMFKOTTOO-OAQYLSRUSA-N 1 3 418.651 3.767 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000448475854 981818170 /nfs/dbraw/zinc/81/81/70/981818170.db2.gz WSIMCWXPAFJXGA-FYYLOGMGSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000448475854 981818182 /nfs/dbraw/zinc/81/81/82/981818182.db2.gz WSIMCWXPAFJXGA-FYYLOGMGSA-N 1 3 400.611 3.660 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)(N2CCCCC2)CC1 ZINC000460503928 982292702 /nfs/dbraw/zinc/29/27/02/982292702.db2.gz NARWALKVFZVMEO-WOJBJXKFSA-N 1 3 423.523 3.875 20 0 HHADHO CC[NH+]1CCC(CCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000438091652 982582855 /nfs/dbraw/zinc/58/28/55/982582855.db2.gz CGUJSSUCHYKXKJ-UHFFFAOYSA-N 1 3 404.624 3.521 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccco1 ZINC000461006856 982720545 /nfs/dbraw/zinc/72/05/45/982720545.db2.gz JLMWMKHTMKGQFW-FCJDFRRUSA-N 1 3 424.589 3.872 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccco1 ZINC000461006856 982720546 /nfs/dbraw/zinc/72/05/46/982720546.db2.gz JLMWMKHTMKGQFW-FCJDFRRUSA-N 1 3 424.589 3.872 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCCC[N@@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076105 983238882 /nfs/dbraw/zinc/23/88/82/983238882.db2.gz HABMZMZRPQFFDK-JOCHJYFZSA-N 1 3 415.626 3.769 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076105 983238890 /nfs/dbraw/zinc/23/88/90/983238890.db2.gz HABMZMZRPQFFDK-JOCHJYFZSA-N 1 3 415.626 3.769 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714188 985660854 /nfs/dbraw/zinc/66/08/54/985660854.db2.gz DGBZWYRWDSMMQC-YENTXNKWSA-N 1 3 420.601 3.717 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714188 985660859 /nfs/dbraw/zinc/66/08/59/985660859.db2.gz DGBZWYRWDSMMQC-YENTXNKWSA-N 1 3 420.601 3.717 20 0 HHADHO CN(C)CCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751022 985692382 /nfs/dbraw/zinc/69/23/82/985692382.db2.gz STFNPJPPSPSYMV-QFIPXVFZSA-N 1 3 400.611 3.805 20 0 HHADHO CN(C)CCN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751022 985692385 /nfs/dbraw/zinc/69/23/85/985692385.db2.gz STFNPJPPSPSYMV-QFIPXVFZSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015029 985970438 /nfs/dbraw/zinc/97/04/38/985970438.db2.gz WVCALXBYRHGVMC-ZODMCCGTSA-N 1 3 420.601 3.670 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015029 985970442 /nfs/dbraw/zinc/97/04/42/985970442.db2.gz WVCALXBYRHGVMC-ZODMCCGTSA-N 1 3 420.601 3.670 20 0 HHADHO O=C1[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000463286345 986253545 /nfs/dbraw/zinc/25/35/45/986253545.db2.gz LHKQUUSMGLUWDP-QFIPXVFZSA-N 1 3 415.940 3.881 20 0 HHADHO C[C@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)CCO1 ZINC000463307718 986275006 /nfs/dbraw/zinc/27/50/06/986275006.db2.gz YXYQLPRCDOGRNK-RKCKCALGSA-N 1 3 406.574 3.592 20 0 HHADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719348 986894119 /nfs/dbraw/zinc/89/41/19/986894119.db2.gz QSIKBQNPTBOQHK-DHIUTWEWSA-N 1 3 410.606 3.844 20 0 HHADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719348 986894134 /nfs/dbraw/zinc/89/41/34/986894134.db2.gz QSIKBQNPTBOQHK-DHIUTWEWSA-N 1 3 410.606 3.844 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)CC1 ZINC000444916929 987064338 /nfs/dbraw/zinc/06/43/38/987064338.db2.gz CJJRGCIENWBTSA-UHFFFAOYSA-N 1 3 416.900 3.622 20 0 HHADHO CC[NH+](CC)CCOC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000445808708 987868156 /nfs/dbraw/zinc/86/81/56/987868156.db2.gz CPPBUUBTLRWVKW-UHFFFAOYSA-N 1 3 417.363 3.790 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518976 988517806 /nfs/dbraw/zinc/51/78/06/988517806.db2.gz BKISCGVRXYNVRL-JOCHJYFZSA-N 1 3 420.601 3.565 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518976 988517821 /nfs/dbraw/zinc/51/78/21/988517821.db2.gz BKISCGVRXYNVRL-JOCHJYFZSA-N 1 3 420.601 3.565 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511845 989710274 /nfs/dbraw/zinc/71/02/74/989710274.db2.gz UPSKMTFBJPEMNP-BHIFYINESA-N 1 3 424.614 3.658 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511845 989710281 /nfs/dbraw/zinc/71/02/81/989710281.db2.gz UPSKMTFBJPEMNP-BHIFYINESA-N 1 3 424.614 3.658 20 0 HHADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000465420506 989766051 /nfs/dbraw/zinc/76/60/51/989766051.db2.gz IOXSIXFIPMCKOE-FQEVSTJZSA-N 1 3 406.640 3.942 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431777 989777541 /nfs/dbraw/zinc/77/75/41/989777541.db2.gz KGUOZWHJAHROQH-URVUXULASA-N 1 3 412.603 3.705 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431777 989777556 /nfs/dbraw/zinc/77/75/56/989777556.db2.gz KGUOZWHJAHROQH-URVUXULASA-N 1 3 412.603 3.705 20 0 HHADHO CN(CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747438 990132484 /nfs/dbraw/zinc/13/24/84/990132484.db2.gz FOPKXCHERTVZLH-CTNGQTDRSA-N 1 3 400.592 3.562 20 0 HHADHO CN(CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747438 990132488 /nfs/dbraw/zinc/13/24/88/990132488.db2.gz FOPKXCHERTVZLH-CTNGQTDRSA-N 1 3 400.592 3.562 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814222 990197400 /nfs/dbraw/zinc/19/74/00/990197400.db2.gz MCZJROCUIXGTTD-URXFXBBRSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814222 990197401 /nfs/dbraw/zinc/19/74/01/990197401.db2.gz MCZJROCUIXGTTD-URXFXBBRSA-N 1 3 408.590 3.904 20 0 HHADHO CCC(CC)(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000465822871 990206105 /nfs/dbraw/zinc/20/61/05/990206105.db2.gz ZTUHAHFHPYZPER-UHFFFAOYSA-N 1 3 400.611 3.602 20 0 HHADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883459 991005657 /nfs/dbraw/zinc/00/56/57/991005657.db2.gz ZUNVIWXRDUZWCS-YADHBBJMSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883459 991005662 /nfs/dbraw/zinc/00/56/62/991005662.db2.gz ZUNVIWXRDUZWCS-YADHBBJMSA-N 1 3 408.590 3.813 20 0 HHADHO CC(C)COc1ccccc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000466154427 991340293 /nfs/dbraw/zinc/34/02/93/991340293.db2.gz PUYYKCJRDHMIRY-UHFFFAOYSA-N 1 3 402.583 3.793 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)c(C)c2)CC1 ZINC000466379514 991663933 /nfs/dbraw/zinc/66/39/33/991663933.db2.gz YQWQDIHVJKPEKV-UHFFFAOYSA-N 1 3 423.605 3.563 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)N2CCCC2)cc1 ZINC000467096293 992401636 /nfs/dbraw/zinc/40/16/36/992401636.db2.gz POAKAAIUTZBKAO-XMMPIXPASA-N 1 3 408.590 3.735 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)CC1 ZINC000480760771 993626334 /nfs/dbraw/zinc/62/63/34/993626334.db2.gz IENVKHWPFCLJLQ-HXUWFJFHSA-N 1 3 414.619 3.813 20 0 HHADHO C[C@@H](CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000473024564 993943624 /nfs/dbraw/zinc/94/36/24/993943624.db2.gz FVDMADOGBRIZNB-FQEVSTJZSA-N 1 3 412.578 3.796 20 0 HHADHO C[C@@H](CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473024564 993943635 /nfs/dbraw/zinc/94/36/35/993943635.db2.gz FVDMADOGBRIZNB-FQEVSTJZSA-N 1 3 412.578 3.796 20 0 HHADHO C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559364 994393147 /nfs/dbraw/zinc/39/31/47/994393147.db2.gz FQEZTGXWFXHUOX-FDDCHVKYSA-N 1 3 411.546 3.595 20 0 HHADHO Cc1ccc2nc(C3CC3)cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000473722229 994616048 /nfs/dbraw/zinc/61/60/48/994616048.db2.gz DVRPETQLPFLHER-UHFFFAOYSA-N 1 3 406.574 3.709 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819253 994746779 /nfs/dbraw/zinc/74/67/79/994746779.db2.gz FXAQLOCHLZIFNI-REWPJTCUSA-N 1 3 421.589 3.613 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819253 994746788 /nfs/dbraw/zinc/74/67/88/994746788.db2.gz FXAQLOCHLZIFNI-REWPJTCUSA-N 1 3 421.589 3.613 20 0 HHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000473878267 994824063 /nfs/dbraw/zinc/82/40/63/994824063.db2.gz SKARPONZOLAZKC-TXTKFYIRSA-N 1 3 408.590 3.745 20 0 HHADHO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102769 995049291 /nfs/dbraw/zinc/04/92/91/995049291.db2.gz LLLRBDQSGORTHW-CCDWMCETSA-N 1 3 419.569 3.754 20 0 HHADHO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102769 995049298 /nfs/dbraw/zinc/04/92/98/995049298.db2.gz LLLRBDQSGORTHW-CCDWMCETSA-N 1 3 419.569 3.754 20 0 HHADHO Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000482555290 995562678 /nfs/dbraw/zinc/56/26/78/995562678.db2.gz QFSHAOINOKVZDY-UNMCSNQZSA-N 1 3 409.574 3.812 20 0 HHADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 ZINC000475048839 995890961 /nfs/dbraw/zinc/89/09/61/995890961.db2.gz PYZPDKXEZRMAME-SFTDATJTSA-N 1 3 416.610 3.592 20 0 HHADHO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475128093 995940731 /nfs/dbraw/zinc/94/07/31/995940731.db2.gz DWEDFYOKROKNCX-VWLOTQADSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475137714 995946736 /nfs/dbraw/zinc/94/67/36/995946736.db2.gz KYKWQNVOXXEPIW-RUZDIDTESA-N 1 3 420.601 3.609 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475177581 995974614 /nfs/dbraw/zinc/97/46/14/995974614.db2.gz ZHPSMHQFLDZSEB-GGAORHGYSA-N 1 3 400.611 3.947 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475177581 995974621 /nfs/dbraw/zinc/97/46/21/995974621.db2.gz ZHPSMHQFLDZSEB-GGAORHGYSA-N 1 3 400.611 3.947 20 0 HHADHO Cc1cccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126830 995991222 /nfs/dbraw/zinc/99/12/22/995991222.db2.gz LMKWXOYYLYXTQF-UXHICEINSA-N 1 3 417.619 3.945 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140176 995998917 /nfs/dbraw/zinc/99/89/17/995998917.db2.gz ZSOAHWNGNFWTIC-LMNJBCLMSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140176 995998921 /nfs/dbraw/zinc/99/89/21/995998921.db2.gz ZSOAHWNGNFWTIC-LMNJBCLMSA-N 1 3 424.427 3.754 20 0 HHADHO O[C@H](COCc1cccs1)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483476784 996205024 /nfs/dbraw/zinc/20/50/24/996205024.db2.gz PZIBXLDOBFBLPH-GIWBLDEGSA-N 1 3 400.588 3.612 20 0 HHADHO O[C@H](COCc1cccs1)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483476784 996205030 /nfs/dbraw/zinc/20/50/30/996205030.db2.gz PZIBXLDOBFBLPH-GIWBLDEGSA-N 1 3 400.588 3.612 20 0 HHADHO O[C@H](COCc1cccs1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483476780 996205097 /nfs/dbraw/zinc/20/50/97/996205097.db2.gz PZIBXLDOBFBLPH-FUDKSRODSA-N 1 3 400.588 3.612 20 0 HHADHO O[C@H](COCc1cccs1)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483476780 996205101 /nfs/dbraw/zinc/20/51/01/996205101.db2.gz PZIBXLDOBFBLPH-FUDKSRODSA-N 1 3 400.588 3.612 20 0 HHADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000483521390 996230616 /nfs/dbraw/zinc/23/06/16/996230616.db2.gz XVFIAFSVBVAEOZ-SFHVURJKSA-N 1 3 417.001 3.522 20 0 HHADHO CC(C)(CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000483691261 996331214 /nfs/dbraw/zinc/33/12/14/996331214.db2.gz ZDFJLHSYJAIUEV-UHFFFAOYSA-N 1 3 404.624 3.521 20 0 HHADHO Cc1nc(-c2cccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)oc1C ZINC000483877840 996443612 /nfs/dbraw/zinc/44/36/12/996443612.db2.gz HRTBMPBNLXBJDU-UHFFFAOYSA-N 1 3 411.550 3.639 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000483915575 996467000 /nfs/dbraw/zinc/46/70/00/996467000.db2.gz SVMBWLLKOHXTJF-UHFFFAOYSA-N 1 3 402.436 3.525 20 0 HHADHO Cc1coc(-c2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2C)n1 ZINC000483934510 996477292 /nfs/dbraw/zinc/47/72/92/996477292.db2.gz QELNRLZHACPHJK-UHFFFAOYSA-N 1 3 411.550 3.639 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CC[NH+](C3CCOCC3)CC2)c1C ZINC000476161105 996644510 /nfs/dbraw/zinc/64/45/10/996644510.db2.gz PEDLGXDYMZNGAW-UHFFFAOYSA-N 1 3 404.352 3.915 20 0 HHADHO CN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000476442456 996913581 /nfs/dbraw/zinc/91/35/81/996913581.db2.gz WMFSIOBNTGKERT-HSZRJFAPSA-N 1 3 406.574 3.793 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN2CCC1CC2)c1ccc(C(F)(F)F)cc1 ZINC000485347140 997768039 /nfs/dbraw/zinc/76/80/39/997768039.db2.gz NLEVMZNNEIBSAJ-IBGZPJMESA-N 1 3 412.500 3.578 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000478620749 999049837 /nfs/dbraw/zinc/04/98/37/999049837.db2.gz KJQLTKFKSXREOW-OAQYLSRUSA-N 1 3 405.627 3.525 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000478620749 999049841 /nfs/dbraw/zinc/04/98/41/999049841.db2.gz KJQLTKFKSXREOW-OAQYLSRUSA-N 1 3 405.627 3.525 20 0 HHADHO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000478807658 999150531 /nfs/dbraw/zinc/15/05/31/999150531.db2.gz RIUSUGJVBNEGPB-HYBUGGRVSA-N 1 3 408.590 3.684 20 0 HHADHO OC1CC[NH+](Cc2ccc(CN[C@@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479075513 999282233 /nfs/dbraw/zinc/28/22/33/999282233.db2.gz IKPVTRNRYDQNLT-RUZDIDTESA-N 1 3 416.569 3.996 20 0 HHADHO CC(C)(C)OC(=O)c1cccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000479973100 999669376 /nfs/dbraw/zinc/66/93/76/999669376.db2.gz XJQKAAAAEFOYPT-UHFFFAOYSA-N 1 3 410.558 3.888 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278573 999735642 /nfs/dbraw/zinc/73/56/42/999735642.db2.gz RSIUXSUAPYAVFP-BJKOFHAPSA-N 1 3 424.589 3.743 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000489400159 999759349 /nfs/dbraw/zinc/75/93/49/999759349.db2.gz JNFCOBFDGSOLCC-HUVFLSCGSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000489400159 999759350 /nfs/dbraw/zinc/75/93/50/999759350.db2.gz JNFCOBFDGSOLCC-HUVFLSCGSA-N 1 3 408.590 3.808 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602971 999838174 /nfs/dbraw/zinc/83/81/74/999838174.db2.gz QVTVGOFFACSMMH-MOPGFXCFSA-N 1 3 415.603 3.820 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000480602971 999838178 /nfs/dbraw/zinc/83/81/78/999838178.db2.gz QVTVGOFFACSMMH-MOPGFXCFSA-N 1 3 415.603 3.820 20 0 HHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489802536 999841287 /nfs/dbraw/zinc/84/12/87/999841287.db2.gz CRSBSXHWDRLDQV-OALUTQOASA-N 1 3 414.516 3.651 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000489847292 999848763 /nfs/dbraw/zinc/84/87/63/999848763.db2.gz ZEFFQXHIABDFBD-NOZRDPDXSA-N 1 3 420.601 3.687 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000489847292 999848766 /nfs/dbraw/zinc/84/87/66/999848766.db2.gz ZEFFQXHIABDFBD-NOZRDPDXSA-N 1 3 420.601 3.687 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000489916870 999861955 /nfs/dbraw/zinc/86/19/55/999861955.db2.gz QAGQUIUUPRQUMA-UHFFFAOYSA-N 1 3 400.611 3.805 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000490355638 999943552 /nfs/dbraw/zinc/94/35/52/999943552.db2.gz QSBLKVBTSRJBBF-MISYRCLQSA-N 1 3 403.368 3.536 20 0 HHADHO C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490654858 999989548 /nfs/dbraw/zinc/98/95/48/999989548.db2.gz ZALHIRQLZDCHQD-WIOPSUGQSA-N 1 3 407.602 3.750 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490991951 1000031272 /nfs/dbraw/zinc/03/12/72/1000031272.db2.gz YZYYXNADPVXONB-NLFFAJNJSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490991951 1000031273 /nfs/dbraw/zinc/03/12/73/1000031273.db2.gz YZYYXNADPVXONB-NLFFAJNJSA-N 1 3 411.565 3.863 20 0 HHADHO C[NH+]1CCC(CCN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491002461 1000032720 /nfs/dbraw/zinc/03/27/20/1000032720.db2.gz BSIIWFATNLOWET-JOCHJYFZSA-N 1 3 404.551 3.640 20 0 HHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000491024357 1000035292 /nfs/dbraw/zinc/03/52/92/1000035292.db2.gz XDBQTPSKSWXUNU-DNRQZRRGSA-N 1 3 420.601 3.958 20 0 HHADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000491059113 1000040706 /nfs/dbraw/zinc/04/07/06/1000040706.db2.gz JOJHHYIMOJCHEE-RLWLMLJZSA-N 1 3 404.602 3.581 20 0 HHADHO C[NH+]1CCC(CN[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491062446 1000041332 /nfs/dbraw/zinc/04/13/32/1000041332.db2.gz WGMNRCNBILLZDG-NRFANRHFSA-N 1 3 406.979 3.764 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000491082487 1000043521 /nfs/dbraw/zinc/04/35/21/1000043521.db2.gz WOTBZWQZZMTLDF-WMZHIEFXSA-N 1 3 416.610 3.592 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000491082487 1000043524 /nfs/dbraw/zinc/04/35/24/1000043524.db2.gz WOTBZWQZZMTLDF-WMZHIEFXSA-N 1 3 416.610 3.592 20 0 HHADHO OC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(Br)c(F)c1 ZINC000492261774 1000118537 /nfs/dbraw/zinc/11/85/37/1000118537.db2.gz WGTIFFCAARPFFK-NRFANRHFSA-N 1 3 421.354 3.918 20 0 HHADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000493861260 1000198662 /nfs/dbraw/zinc/19/86/62/1000198662.db2.gz HJVNHBCGQJBQFQ-OPYAIIAOSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000493861260 1000198664 /nfs/dbraw/zinc/19/86/64/1000198664.db2.gz HJVNHBCGQJBQFQ-OPYAIIAOSA-N 1 3 411.512 3.678 20 0 HHADHO CN1CCC([NH+]2CCC(NCc3ccc(Br)c(Cl)c3)CC2)CC1 ZINC000494365615 1000456806 /nfs/dbraw/zinc/45/68/06/1000456806.db2.gz GNWKGCKCGDGPAD-UHFFFAOYSA-N 1 3 400.792 3.751 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1 ZINC000494573819 1000560425 /nfs/dbraw/zinc/56/04/25/1000560425.db2.gz HYKUBAUXGKJMAI-QZTJIDSGSA-N 1 3 424.511 3.929 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000494573818 1000560710 /nfs/dbraw/zinc/56/07/10/1000560710.db2.gz HYKUBAUXGKJMAI-HDICACEKSA-N 1 3 424.511 3.929 20 0 HHADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000495000972 1000771529 /nfs/dbraw/zinc/77/15/29/1000771529.db2.gz YLLUKZCATVLNFH-JXFKEZNVSA-N 1 3 421.511 3.553 20 0 HHADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000495000972 1000771535 /nfs/dbraw/zinc/77/15/35/1000771535.db2.gz YLLUKZCATVLNFH-JXFKEZNVSA-N 1 3 421.511 3.553 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000505785804 1001022557 /nfs/dbraw/zinc/02/25/57/1001022557.db2.gz WWRUFPFXTJGFLG-LJQANCHMSA-N 1 3 418.582 3.746 20 0 HHADHO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506017350 1001165311 /nfs/dbraw/zinc/16/53/11/1001165311.db2.gz KTIZSMUEZVOUBQ-SFHVURJKSA-N 1 3 407.986 3.800 20 0 HHADHO Clc1cccc(-c2nnc(CN3CCC(CCC[NH+]4CCOCC4)CC3)o2)c1 ZINC000506051194 1001192315 /nfs/dbraw/zinc/19/23/15/1001192315.db2.gz IQLBCQPZGJFZMX-UHFFFAOYSA-N 1 3 404.942 3.714 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687965 1001494331 /nfs/dbraw/zinc/49/43/31/1001494331.db2.gz DWRIQHQMALBQGR-QFIPXVFZSA-N 1 3 422.621 3.526 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687965 1001494333 /nfs/dbraw/zinc/49/43/33/1001494333.db2.gz DWRIQHQMALBQGR-QFIPXVFZSA-N 1 3 422.621 3.526 20 0 HHADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000498126616 1001652989 /nfs/dbraw/zinc/65/29/89/1001652989.db2.gz KZOFLSFLAPEVFQ-QPPBQGQZSA-N 1 3 406.574 3.651 20 0 HHADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000507900675 1002434291 /nfs/dbraw/zinc/43/42/91/1002434291.db2.gz BPRORJHFEPOUKS-UHFFFAOYSA-N 1 3 412.553 3.578 20 0 HHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157626 1002542008 /nfs/dbraw/zinc/54/20/08/1002542008.db2.gz QNUVFYAIYAOEEK-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157626 1002542019 /nfs/dbraw/zinc/54/20/19/1002542019.db2.gz QNUVFYAIYAOEEK-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(CN4CCOCC4)cc2)C3)cc1 ZINC000499157626 1002542029 /nfs/dbraw/zinc/54/20/29/1002542029.db2.gz QNUVFYAIYAOEEK-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Sc4ccccn4)cc3)CC2)CC1 ZINC000499417008 1002801221 /nfs/dbraw/zinc/80/12/21/1002801221.db2.gz HEUJQIZRZFNUNZ-UHFFFAOYSA-N 1 3 410.587 3.521 20 0 HHADHO C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508712185 1003150902 /nfs/dbraw/zinc/15/09/02/1003150902.db2.gz CFLVJKOCULTAIG-GVXSCFBNSA-N 1 3 405.586 3.720 20 0 HHADHO Cc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719497 1003160263 /nfs/dbraw/zinc/16/02/63/1003160263.db2.gz KWJUHZZNYZHZTO-HRNNMHKYSA-N 1 3 407.602 3.869 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722290 1003163038 /nfs/dbraw/zinc/16/30/38/1003163038.db2.gz XBPUZPKKHFTBIO-DSBYRVASSA-N 1 3 423.601 3.569 20 0 HHADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868866 1003289126 /nfs/dbraw/zinc/28/91/26/1003289126.db2.gz WHLUKCHCCLLDGP-SJROBZAFSA-N 1 3 423.605 3.716 20 0 HHADHO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508906761 1003345387 /nfs/dbraw/zinc/34/53/87/1003345387.db2.gz OGRXFTRCRBDUCR-GIWBLDEGSA-N 1 3 400.611 3.831 20 0 HHADHO Cc1ccc(C[C@H]2CCCN2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500180510 1003529624 /nfs/dbraw/zinc/52/96/24/1003529624.db2.gz HMILWAVNKMFFIE-RUZDIDTESA-N 1 3 405.586 3.914 20 0 HHADHO C[NH+](C)Cc1ccccc1CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509467914 1003884647 /nfs/dbraw/zinc/88/46/47/1003884647.db2.gz GRTSBFFXPGGFSI-JOCHJYFZSA-N 1 3 419.491 3.819 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000512183738 1004086496 /nfs/dbraw/zinc/08/64/96/1004086496.db2.gz VXHDVBSXIVSYFI-IAGOWNOFSA-N 1 3 400.485 3.949 20 0 HHADHO Cc1ccc([C@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501025539 1004129849 /nfs/dbraw/zinc/12/98/49/1004129849.db2.gz ZAPICRFEIBGYIP-VWLOTQADSA-N 1 3 406.574 3.806 20 0 HHADHO CN(CC(=O)N(C)[C@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046146 1004147182 /nfs/dbraw/zinc/14/71/82/1004147182.db2.gz OPTNZIFEXVESER-DEOSSOPVSA-N 1 3 406.574 3.766 20 0 HHADHO C[C@H](C(=O)Nc1cccc2ncccc21)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053390 1004156490 /nfs/dbraw/zinc/15/64/90/1004156490.db2.gz NJZIWMLAVNXLTQ-GOSISDBHSA-N 1 3 403.530 3.805 20 0 HHADHO CC(C)[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000501130013 1004223227 /nfs/dbraw/zinc/22/32/27/1004223227.db2.gz BSXYXWPOCUFJQC-QHCPKHFHSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@H]1C[C@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413266 1004280615 /nfs/dbraw/zinc/28/06/15/1004280615.db2.gz USADKKCDAVUDDX-UNMCSNQZSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H]1C[C@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413266 1004280625 /nfs/dbraw/zinc/28/06/25/1004280625.db2.gz USADKKCDAVUDDX-UNMCSNQZSA-N 1 3 412.578 3.654 20 0 HHADHO CC[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000501351506 1004361396 /nfs/dbraw/zinc/36/13/96/1004361396.db2.gz LKOMYNLTFNQVKZ-QFIPXVFZSA-N 1 3 424.589 3.722 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501363435 1004368414 /nfs/dbraw/zinc/36/84/14/1004368414.db2.gz OYYQOQXUWOFVGB-TYJFDUFHSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501363435 1004368420 /nfs/dbraw/zinc/36/84/20/1004368420.db2.gz OYYQOQXUWOFVGB-TYJFDUFHSA-N 1 3 408.590 3.888 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632349 1004444695 /nfs/dbraw/zinc/44/46/95/1004444695.db2.gz ZKYVQZCEJDHNRV-PZUNEJSGSA-N 1 3 421.585 3.592 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632349 1004444701 /nfs/dbraw/zinc/44/47/01/1004444701.db2.gz ZKYVQZCEJDHNRV-PZUNEJSGSA-N 1 3 421.585 3.592 20 0 HHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000512660858 1004472085 /nfs/dbraw/zinc/47/20/85/1004472085.db2.gz OZZQFECGXHBAKY-ZRBLBEILSA-N 1 3 407.606 3.827 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)N(C)C)cc1 ZINC000512821950 1004581568 /nfs/dbraw/zinc/58/15/68/1004581568.db2.gz STBFWXRGVFFAQB-HSZRJFAPSA-N 1 3 418.626 3.840 20 0 HHADHO CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501536 1004621247 /nfs/dbraw/zinc/62/12/47/1004621247.db2.gz MGVGQQNGPGGRMV-XKCSPQBFSA-N 1 3 412.622 3.776 20 0 HHADHO CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501536 1004621250 /nfs/dbraw/zinc/62/12/50/1004621250.db2.gz MGVGQQNGPGGRMV-XKCSPQBFSA-N 1 3 412.622 3.776 20 0 HHADHO CC[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501535 1004621827 /nfs/dbraw/zinc/62/18/27/1004621827.db2.gz MGVGQQNGPGGRMV-UNWVZKJWSA-N 1 3 412.622 3.776 20 0 HHADHO CC[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501535 1004621831 /nfs/dbraw/zinc/62/18/31/1004621831.db2.gz MGVGQQNGPGGRMV-UNWVZKJWSA-N 1 3 412.622 3.776 20 0 HHADHO C[NH+](C)CCCC1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000501778638 1004718294 /nfs/dbraw/zinc/71/82/94/1004718294.db2.gz VBXHZUFJGZGVKZ-UHFFFAOYSA-N 1 3 408.590 3.837 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448296 1004970971 /nfs/dbraw/zinc/97/09/71/1004970971.db2.gz QZXBVJMIAPRFBL-RXVVDRJESA-N 1 3 411.512 3.822 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448296 1004970974 /nfs/dbraw/zinc/97/09/74/1004970974.db2.gz QZXBVJMIAPRFBL-RXVVDRJESA-N 1 3 411.512 3.822 20 0 HHADHO CN(C)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000513572466 1005029998 /nfs/dbraw/zinc/02/99/98/1005029998.db2.gz MDDNXWZRGUAABO-ZACQAIPSSA-N 1 3 419.919 3.968 20 0 HHADHO CN(C)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000513572466 1005030006 /nfs/dbraw/zinc/03/00/06/1005030006.db2.gz MDDNXWZRGUAABO-ZACQAIPSSA-N 1 3 419.919 3.968 20 0 HHADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000502493247 1005090762 /nfs/dbraw/zinc/09/07/62/1005090762.db2.gz JCTAINVQCBTYMX-OAQYLSRUSA-N 1 3 404.624 3.664 20 0 HHADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000502493247 1005090767 /nfs/dbraw/zinc/09/07/67/1005090767.db2.gz JCTAINVQCBTYMX-OAQYLSRUSA-N 1 3 404.624 3.664 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268877 1005099890 /nfs/dbraw/zinc/09/98/90/1005099890.db2.gz NCULMYUMXLEBPA-AZUAARDMSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268877 1005099894 /nfs/dbraw/zinc/09/98/94/1005099894.db2.gz NCULMYUMXLEBPA-AZUAARDMSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268880 1005099930 /nfs/dbraw/zinc/09/99/30/1005099930.db2.gz NCULMYUMXLEBPA-UYAOXDASSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268880 1005099936 /nfs/dbraw/zinc/09/99/36/1005099936.db2.gz NCULMYUMXLEBPA-UYAOXDASSA-N 1 3 404.574 3.552 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(CCN(C)C)Cc3ccccc3F)CC2)CC1 ZINC000502768334 1005208820 /nfs/dbraw/zinc/20/88/20/1005208820.db2.gz QFPNZDBACJUKIO-UHFFFAOYSA-N 1 3 418.601 3.942 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033131 1005236319 /nfs/dbraw/zinc/23/63/19/1005236319.db2.gz QBBHZJQDZQABDO-HYBUGGRVSA-N 1 3 406.574 3.917 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000514115269 1005272177 /nfs/dbraw/zinc/27/21/77/1005272177.db2.gz QSNYBZKPCZHROR-FYYLOGMGSA-N 1 3 400.611 3.943 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000514115269 1005272180 /nfs/dbraw/zinc/27/21/80/1005272180.db2.gz QSNYBZKPCZHROR-FYYLOGMGSA-N 1 3 400.611 3.943 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)Cc3ccccc3Cl)CC2)CC1 ZINC000502959343 1005292869 /nfs/dbraw/zinc/29/28/69/1005292869.db2.gz YYFFVVCDCTYWQY-UHFFFAOYSA-N 1 3 407.002 3.519 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212137 1005369703 /nfs/dbraw/zinc/36/97/03/1005369703.db2.gz MSWVMEBWYFXOLH-NMVJMZGASA-N 1 3 420.601 3.686 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212137 1005369705 /nfs/dbraw/zinc/36/97/05/1005369705.db2.gz MSWVMEBWYFXOLH-NMVJMZGASA-N 1 3 420.601 3.686 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccc(Cl)cc4)CCC3)CC2)CC1 ZINC000503306274 1005387325 /nfs/dbraw/zinc/38/73/25/1005387325.db2.gz YFVIJHNBWVHYHU-UHFFFAOYSA-N 1 3 404.986 3.577 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503392762 1005406260 /nfs/dbraw/zinc/40/62/60/1005406260.db2.gz QDSIGBJIVQMLKK-QFIPXVFZSA-N 1 3 412.622 3.732 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000503714335 1005485080 /nfs/dbraw/zinc/48/50/80/1005485080.db2.gz SHQKQQNBOCQMEX-UHFFFAOYSA-N 1 3 414.516 3.511 20 0 HHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000531222440 1006056256 /nfs/dbraw/zinc/05/62/56/1006056256.db2.gz FFYLTGUVTOKPHI-UHFFFAOYSA-N 1 3 406.574 3.729 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC000531937044 1006531741 /nfs/dbraw/zinc/53/17/41/1006531741.db2.gz PWSBSRKCBFLEGF-IBGZPJMESA-N 1 3 406.574 3.560 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nccn2Cc2ccccc2)CC1 ZINC000532042572 1006596606 /nfs/dbraw/zinc/59/66/06/1006596606.db2.gz ZCBAKMPUWQEPJV-UHFFFAOYSA-N 1 3 417.601 3.796 20 0 HHADHO CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCN(Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000538546762 1006810348 /nfs/dbraw/zinc/81/03/48/1006810348.db2.gz QGMDJYQVNZDZMB-SQJMNOBHSA-N 1 3 407.606 3.935 20 0 HHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000538591030 1006858732 /nfs/dbraw/zinc/85/87/32/1006858732.db2.gz XCJIZCRUXLHKRO-NLFFAJNJSA-N 1 3 416.569 3.688 20 0 HHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532504388 1006944664 /nfs/dbraw/zinc/94/46/64/1006944664.db2.gz WKXVSBIFNDSDSU-JKSUJKDBSA-N 1 3 413.484 3.513 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233229 1006964980 /nfs/dbraw/zinc/96/49/80/1006964980.db2.gz RGZXZBSBIAUKNP-SVFBPWRDSA-N 1 3 415.626 3.625 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233229 1006964991 /nfs/dbraw/zinc/96/49/91/1006964991.db2.gz RGZXZBSBIAUKNP-SVFBPWRDSA-N 1 3 415.626 3.625 20 0 HHADHO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723155 1006998805 /nfs/dbraw/zinc/99/88/05/1006998805.db2.gz MYMNCWUFCGEWDG-NZQKXSOJSA-N 1 3 409.622 3.628 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723155 1006998819 /nfs/dbraw/zinc/99/88/19/1006998819.db2.gz MYMNCWUFCGEWDG-NZQKXSOJSA-N 1 3 409.622 3.628 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000538724161 1007002488 /nfs/dbraw/zinc/00/24/88/1007002488.db2.gz WECLBENIXHONIZ-HXOBKFHXSA-N 1 3 416.013 3.600 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000538724161 1007002501 /nfs/dbraw/zinc/00/25/01/1007002501.db2.gz WECLBENIXHONIZ-HXOBKFHXSA-N 1 3 416.013 3.600 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1)Cc1ccccc1 ZINC000538736677 1007019388 /nfs/dbraw/zinc/01/93/88/1007019388.db2.gz WEUAKVOVMWJMML-UHFFFAOYSA-N 1 3 404.558 3.628 20 0 HHADHO CCOc1cccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000538737671 1007020104 /nfs/dbraw/zinc/02/01/04/1007020104.db2.gz VGIKICPPHNHYNU-UHFFFAOYSA-N 1 3 409.574 3.546 20 0 HHADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000532763273 1007168164 /nfs/dbraw/zinc/16/81/64/1007168164.db2.gz XATPQLQFXICJRJ-CTNGQTDRSA-N 1 3 409.574 3.981 20 0 HHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1)CC1CC1 ZINC000538915923 1007200991 /nfs/dbraw/zinc/20/09/91/1007200991.db2.gz BBFPMJOSZGWDCR-QHCPKHFHSA-N 1 3 400.611 3.833 20 0 HHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1)CC1CC1 ZINC000538915923 1007200998 /nfs/dbraw/zinc/20/09/98/1007200998.db2.gz BBFPMJOSZGWDCR-QHCPKHFHSA-N 1 3 400.611 3.833 20 0 HHADHO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000538980390 1007272840 /nfs/dbraw/zinc/27/28/40/1007272840.db2.gz OTUICPGOVBZPCK-DEOSSOPVSA-N 1 3 421.589 3.604 20 0 HHADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042251 1007339322 /nfs/dbraw/zinc/33/93/22/1007339322.db2.gz WWVRGNZAWOHYLZ-MBSDFSHPSA-N 1 3 415.603 3.563 20 0 HHADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042249 1007339938 /nfs/dbraw/zinc/33/99/38/1007339938.db2.gz WWVRGNZAWOHYLZ-JPYJTQIMSA-N 1 3 415.603 3.563 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062469 1007355880 /nfs/dbraw/zinc/35/58/80/1007355880.db2.gz XOUXPIMHUZZEOX-CEXWTWQISA-N 1 3 409.368 3.630 20 0 HHADHO COc1ccc2oc([C@@H](C)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)c(C)c2c1 ZINC000539074029 1007364914 /nfs/dbraw/zinc/36/49/14/1007364914.db2.gz STLUTFUVWCFANK-QGZVFWFLSA-N 1 3 409.530 3.892 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119367 1007464789 /nfs/dbraw/zinc/46/47/89/1007464789.db2.gz PWRNWGNYBBABJK-NMVJMZGASA-N 1 3 420.601 3.711 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119367 1007464800 /nfs/dbraw/zinc/46/48/00/1007464800.db2.gz PWRNWGNYBBABJK-NMVJMZGASA-N 1 3 420.601 3.711 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000517501633 1007724336 /nfs/dbraw/zinc/72/43/36/1007724336.db2.gz HRDDRQRWYBLTKL-NRFANRHFSA-N 1 3 422.658 3.754 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000517501633 1007724347 /nfs/dbraw/zinc/72/43/47/1007724347.db2.gz HRDDRQRWYBLTKL-NRFANRHFSA-N 1 3 422.658 3.754 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542301 1007758859 /nfs/dbraw/zinc/75/88/59/1007758859.db2.gz OVSCAYMHELSDIT-BWKNWUBXSA-N 1 3 420.601 3.828 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613012 1007817149 /nfs/dbraw/zinc/81/71/49/1007817149.db2.gz RBUVQXTYDFFTIR-OFNKIYASSA-N 1 3 401.595 3.847 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613012 1007817161 /nfs/dbraw/zinc/81/71/61/1007817161.db2.gz RBUVQXTYDFFTIR-OFNKIYASSA-N 1 3 401.595 3.847 20 0 HHADHO C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539678523 1007998399 /nfs/dbraw/zinc/99/83/99/1007998399.db2.gz LJZIWHSANSWGNL-YCRPNKLZSA-N 1 3 419.928 3.876 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015547 1008055691 /nfs/dbraw/zinc/05/56/91/1008055691.db2.gz WKKQHUXVTNVWEY-RUZDIDTESA-N 1 3 422.617 3.713 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015547 1008055698 /nfs/dbraw/zinc/05/56/98/1008055698.db2.gz WKKQHUXVTNVWEY-RUZDIDTESA-N 1 3 422.617 3.713 20 0 HHADHO COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824223 1008119385 /nfs/dbraw/zinc/11/93/85/1008119385.db2.gz DRGODZXMZJICOI-YKSBVNFPSA-N 1 3 423.601 3.829 20 0 HHADHO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000539863344 1008148516 /nfs/dbraw/zinc/14/85/16/1008148516.db2.gz WLYUYFRYZFPLIV-RTBURBONSA-N 1 3 412.578 3.797 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094720 1008156181 /nfs/dbraw/zinc/15/61/81/1008156181.db2.gz UYLITJKGQZHJQZ-FYYLOGMGSA-N 1 3 416.610 3.738 20 0 HHADHO CC[N@H+](CCC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1)CC1CC1 ZINC000540047051 1008256612 /nfs/dbraw/zinc/25/66/12/1008256612.db2.gz MNERIMCBDPSHDR-UHFFFAOYSA-N 1 3 422.617 3.887 20 0 HHADHO CC[N@@H+](CCC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1)CC1CC1 ZINC000540047051 1008256616 /nfs/dbraw/zinc/25/66/16/1008256616.db2.gz MNERIMCBDPSHDR-UHFFFAOYSA-N 1 3 422.617 3.887 20 0 HHADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000540169084 1008320145 /nfs/dbraw/zinc/32/01/45/1008320145.db2.gz JVEXGFNJXSDNFX-XMMPIXPASA-N 1 3 407.558 3.688 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000540169564 1008320334 /nfs/dbraw/zinc/32/03/34/1008320334.db2.gz LQSQICNNOLRAKY-HNNXBMFYSA-N 1 3 404.352 3.591 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(I)cc1 ZINC000540170654 1008320900 /nfs/dbraw/zinc/32/09/00/1008320900.db2.gz ITAXYVCEYPTCBY-OAGGEKHMSA-N 1 3 416.347 3.831 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507899 1008460528 /nfs/dbraw/zinc/46/05/28/1008460528.db2.gz RHNLRLKVKSOWFJ-GMAHTHKFSA-N 1 3 419.569 3.613 20 0 HHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCCc3c(Br)cccc32)ccn1 ZINC000543113685 1008686295 /nfs/dbraw/zinc/68/62/95/1008686295.db2.gz AFBSRMYTWPVFJE-IBGZPJMESA-N 1 3 404.352 3.952 20 0 HHADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142741 1008711306 /nfs/dbraw/zinc/71/13/06/1008711306.db2.gz NZXSLGLNOQQYPL-DQEYMECFSA-N 1 3 421.585 3.705 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(-n4cnc5ccccc54)cc3)CC2)CC1 ZINC000543617709 1009223753 /nfs/dbraw/zinc/22/37/53/1009223753.db2.gz AVRCWRLZZVMZRO-UHFFFAOYSA-N 1 3 417.601 3.875 20 0 HHADHO C[C@@H](CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000543619045 1009224485 /nfs/dbraw/zinc/22/44/85/1009224485.db2.gz XLSJFTWIHVYXMM-SFHVURJKSA-N 1 3 408.428 3.902 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N2CCCC2)cc1 ZINC000520299836 1009425047 /nfs/dbraw/zinc/42/50/47/1009425047.db2.gz WUAPGXQDCGXHQA-HSZRJFAPSA-N 1 3 400.611 3.894 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N2CCCC2)cc1 ZINC000520299836 1009425059 /nfs/dbraw/zinc/42/50/59/1009425059.db2.gz WUAPGXQDCGXHQA-HSZRJFAPSA-N 1 3 400.611 3.894 20 0 HHADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000546619494 1009632542 /nfs/dbraw/zinc/63/25/42/1009632542.db2.gz WVGMEXNPRCAGIO-FGTMMUONSA-N 1 3 407.986 3.561 20 0 HHADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000546619494 1009632547 /nfs/dbraw/zinc/63/25/47/1009632547.db2.gz WVGMEXNPRCAGIO-FGTMMUONSA-N 1 3 407.986 3.561 20 0 HHADHO Cc1cccc([C@@H]2CCN([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189722 1009792730 /nfs/dbraw/zinc/79/27/30/1009792730.db2.gz JKRJULNKWFJHAK-XUZZJYLKSA-N 1 3 405.586 3.954 20 0 HHADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733351 1009801824 /nfs/dbraw/zinc/80/18/24/1009801824.db2.gz AQXPSTIFUNQRCA-NQIIRXRSSA-N 1 3 409.496 3.574 20 0 HHADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733351 1009801843 /nfs/dbraw/zinc/80/18/43/1009801843.db2.gz AQXPSTIFUNQRCA-NQIIRXRSSA-N 1 3 409.496 3.574 20 0 HHADHO Cc1n[nH]c(C)c1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000520952506 1010002781 /nfs/dbraw/zinc/00/27/81/1010002781.db2.gz XPEOYWXWQPSIST-UHFFFAOYSA-N 1 3 409.500 3.737 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000521068665 1010085570 /nfs/dbraw/zinc/08/55/70/1010085570.db2.gz DXTMVNXVLHNHJE-UHFFFAOYSA-N 1 3 410.553 3.693 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000521068665 1010085592 /nfs/dbraw/zinc/08/55/92/1010085592.db2.gz DXTMVNXVLHNHJE-UHFFFAOYSA-N 1 3 410.553 3.693 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3sc(Br)cc32)C1 ZINC000550785194 1010174484 /nfs/dbraw/zinc/17/44/84/1010174484.db2.gz PPLSFDUXZZWWMU-RDJZCZTQSA-N 1 3 407.377 3.854 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3sc(Br)cc32)C1 ZINC000550785194 1010174496 /nfs/dbraw/zinc/17/44/96/1010174496.db2.gz PPLSFDUXZZWWMU-RDJZCZTQSA-N 1 3 407.377 3.854 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000521179973 1010212794 /nfs/dbraw/zinc/21/27/94/1010212794.db2.gz HTTXULDKDJMTQH-UHFFFAOYSA-N 1 3 422.617 3.699 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547505271 1010331722 /nfs/dbraw/zinc/33/17/22/1010331722.db2.gz LNMLWCNHTLXHQR-OOICKAIWSA-N 1 3 408.590 3.695 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000521384642 1010347827 /nfs/dbraw/zinc/34/78/27/1010347827.db2.gz DQKMEHDPQSRVTI-UHFFFAOYSA-N 1 3 412.553 3.695 20 0 HHADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521533582 1010444461 /nfs/dbraw/zinc/44/44/61/1010444461.db2.gz JZBFZHTWOANRDD-QHCPKHFHSA-N 1 3 423.576 3.861 20 0 HHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000544897931 1010474046 /nfs/dbraw/zinc/47/40/46/1010474046.db2.gz ILRFUGOGKNIIQS-LJQANCHMSA-N 1 3 407.624 3.634 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000521687389 1010551975 /nfs/dbraw/zinc/55/19/75/1010551975.db2.gz PIXZXEPFBAJRMQ-GOSISDBHSA-N 1 3 410.553 3.693 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000521687389 1010551986 /nfs/dbraw/zinc/55/19/86/1010551986.db2.gz PIXZXEPFBAJRMQ-GOSISDBHSA-N 1 3 410.553 3.693 20 0 HHADHO COC(=O)CCCN1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000545205233 1010682914 /nfs/dbraw/zinc/68/29/14/1010682914.db2.gz JZZFXFCGFUSMNK-UHFFFAOYSA-N 1 3 422.013 3.559 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536162101 1011290562 /nfs/dbraw/zinc/29/05/62/1011290562.db2.gz ZLMNBKFOHHRCAU-CTUHWIOQSA-N 1 3 406.574 3.957 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536162105 1011290892 /nfs/dbraw/zinc/29/08/92/1011290892.db2.gz ZLMNBKFOHHRCAU-VEXUSMLFSA-N 1 3 406.574 3.957 20 0 HHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000522886793 1011333036 /nfs/dbraw/zinc/33/30/36/1011333036.db2.gz LZLDOEJOESXYPM-HSZRJFAPSA-N 1 3 400.611 3.601 20 0 HHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000522886793 1011333047 /nfs/dbraw/zinc/33/30/47/1011333047.db2.gz LZLDOEJOESXYPM-HSZRJFAPSA-N 1 3 400.611 3.601 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204433 1011349183 /nfs/dbraw/zinc/34/91/83/1011349183.db2.gz PTKDWHNELLROKK-HJOGWXRNSA-N 1 3 422.573 3.577 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204433 1011349198 /nfs/dbraw/zinc/34/91/98/1011349198.db2.gz PTKDWHNELLROKK-HJOGWXRNSA-N 1 3 422.573 3.577 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132271 1011600838 /nfs/dbraw/zinc/60/08/38/1011600838.db2.gz WTFOIISUHXWVBB-XMMPIXPASA-N 1 3 408.590 3.639 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000523132271 1011600853 /nfs/dbraw/zinc/60/08/53/1011600853.db2.gz WTFOIISUHXWVBB-XMMPIXPASA-N 1 3 408.590 3.639 20 0 HHADHO CCOCc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000536663809 1011814743 /nfs/dbraw/zinc/81/47/43/1011814743.db2.gz WSIKFPZBJXSFDR-BGYRXZFFSA-N 1 3 404.595 3.943 20 0 HHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000552057390 1012074163 /nfs/dbraw/zinc/07/41/63/1012074163.db2.gz RQCAQRCPTFALRR-XWGVYQGASA-N 1 3 405.590 3.726 20 0 HHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000552057388 1012075305 /nfs/dbraw/zinc/07/53/05/1012075305.db2.gz RQCAQRCPTFALRR-QPTUXGOLSA-N 1 3 405.590 3.726 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1I ZINC000536855972 1012087927 /nfs/dbraw/zinc/08/79/27/1012087927.db2.gz DAAWMXWAPNAVGM-OWCLPIDISA-N 1 3 416.347 3.831 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114231 1012131306 /nfs/dbraw/zinc/13/13/06/1012131306.db2.gz BBNIOUCCWZKDST-LEWJYISDSA-N 1 3 407.549 3.628 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114231 1012131320 /nfs/dbraw/zinc/13/13/20/1012131320.db2.gz BBNIOUCCWZKDST-LEWJYISDSA-N 1 3 407.549 3.628 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114234 1012131916 /nfs/dbraw/zinc/13/19/16/1012131916.db2.gz BBNIOUCCWZKDST-SFTDATJTSA-N 1 3 407.549 3.628 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114234 1012131927 /nfs/dbraw/zinc/13/19/27/1012131927.db2.gz BBNIOUCCWZKDST-SFTDATJTSA-N 1 3 407.549 3.628 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523667689 1012264367 /nfs/dbraw/zinc/26/43/67/1012264367.db2.gz SSPUFHUGLIRWDT-DEOSSOPVSA-N 1 3 406.574 3.596 20 0 HHADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@H]3C2)cc1 ZINC000552297624 1012308846 /nfs/dbraw/zinc/30/88/46/1012308846.db2.gz CKFFARKKXPNTCO-WIYBCGNWSA-N 1 3 408.546 3.667 20 0 HHADHO CN1CCN(CCCCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000552352301 1012361647 /nfs/dbraw/zinc/36/16/47/1012361647.db2.gz UBZZCRUYTIKQSF-UHFFFAOYSA-N 1 3 415.626 3.600 20 0 HHADHO CN1CCN(CCCCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000552352301 1012361653 /nfs/dbraw/zinc/36/16/53/1012361653.db2.gz UBZZCRUYTIKQSF-UHFFFAOYSA-N 1 3 415.626 3.600 20 0 HHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000523866578 1012563664 /nfs/dbraw/zinc/56/36/64/1012563664.db2.gz QXAFRYIQENXDFH-NRFANRHFSA-N 1 3 420.601 3.960 20 0 HHADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745288 1012602520 /nfs/dbraw/zinc/60/25/20/1012602520.db2.gz YNKREKLRMWCZKL-GOTSBHOMSA-N 1 3 400.588 3.931 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915051 1012772756 /nfs/dbraw/zinc/77/27/56/1012772756.db2.gz WDWZPEPKNKLPSQ-UWJYYQICSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915051 1012772769 /nfs/dbraw/zinc/77/27/69/1012772769.db2.gz WDWZPEPKNKLPSQ-UWJYYQICSA-N 1 3 407.558 3.724 20 0 HHADHO CCc1ccc(CN(C)C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000552786175 1012791715 /nfs/dbraw/zinc/79/17/15/1012791715.db2.gz QJTHNYAJBSWPHG-UHFFFAOYSA-N 1 3 408.590 3.841 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000571328347 1072603896 /nfs/dbraw/zinc/60/38/96/1072603896.db2.gz LHSRQWAKACXPOP-RHSMWYFYSA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000571328347 1072603903 /nfs/dbraw/zinc/60/39/03/1072603903.db2.gz LHSRQWAKACXPOP-RHSMWYFYSA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000571328347 1072603910 /nfs/dbraw/zinc/60/39/10/1072603910.db2.gz LHSRQWAKACXPOP-RHSMWYFYSA-N 1 3 409.596 3.579 20 0 HHADHO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000571408830 1072614818 /nfs/dbraw/zinc/61/48/18/1072614818.db2.gz CIANZLMEOPONDV-RTBURBONSA-N 1 3 413.562 3.740 20 0 HHADHO c1cncc(-c2ccc3nc(C4CC[NH+](C5CCN(CC6CC6)CC5)CC4)nn3c2)c1 ZINC001168379381 1072664041 /nfs/dbraw/zinc/66/40/41/1072664041.db2.gz JFEQXJKNTDUPDS-UHFFFAOYSA-N 1 3 416.573 3.845 20 0 HHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000588770602 1073202189 /nfs/dbraw/zinc/20/21/89/1073202189.db2.gz UPOMRSPTXMRWCI-JOCHJYFZSA-N 1 3 415.626 3.913 20 0 HHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000588770602 1073202195 /nfs/dbraw/zinc/20/21/95/1073202195.db2.gz UPOMRSPTXMRWCI-JOCHJYFZSA-N 1 3 415.626 3.913 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555335591 1073360653 /nfs/dbraw/zinc/36/06/53/1073360653.db2.gz PYNFJJIFJKXKIH-KDURUIRLSA-N 1 3 411.594 3.595 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555335591 1073360658 /nfs/dbraw/zinc/36/06/58/1073360658.db2.gz PYNFJJIFJKXKIH-KDURUIRLSA-N 1 3 411.594 3.595 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555335591 1073360664 /nfs/dbraw/zinc/36/06/64/1073360664.db2.gz PYNFJJIFJKXKIH-KDURUIRLSA-N 1 3 411.594 3.595 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000591076403 1074099148 /nfs/dbraw/zinc/09/91/48/1074099148.db2.gz YFVJDNYTDPBTOK-OAQYLSRUSA-N 1 3 409.574 3.802 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000591076403 1074099156 /nfs/dbraw/zinc/09/91/56/1074099156.db2.gz YFVJDNYTDPBTOK-OAQYLSRUSA-N 1 3 409.574 3.802 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542081 1074377345 /nfs/dbraw/zinc/37/73/45/1074377345.db2.gz VMYIKPOHVYOFSA-WOJBJXKFSA-N 1 3 404.624 3.791 20 0 HHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c1CCNC3)CC2 ZINC001164796814 721499155 /nfs/dbraw/zinc/49/91/55/721499155.db2.gz YZXVSXSOYMRUKA-UHFFFAOYSA-N 1 3 411.981 3.657 20 0 HHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c1CCNC3)CC2 ZINC001164796814 721499157 /nfs/dbraw/zinc/49/91/57/721499157.db2.gz YZXVSXSOYMRUKA-UHFFFAOYSA-N 1 3 411.981 3.657 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121026 971513496 /nfs/dbraw/zinc/51/34/96/971513496.db2.gz FSDSVIMGCASUOO-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121026 971513500 /nfs/dbraw/zinc/51/35/00/971513500.db2.gz FSDSVIMGCASUOO-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121026 971513503 /nfs/dbraw/zinc/51/35/03/971513503.db2.gz FSDSVIMGCASUOO-CALCHBBNSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)Cc1ccccc1 ZINC000303451303 971750868 /nfs/dbraw/zinc/75/08/68/971750868.db2.gz IQLHWWTUXUDITK-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO Cc1ccn(-c2ccccc2CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000537776774 1013339690 /nfs/dbraw/zinc/33/96/90/1013339690.db2.gz NTDIKDODMNVCEF-UHFFFAOYSA-N 1 3 409.965 3.876 20 0 HHADHO CCCCO[C@H]1C[C@@H](N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497013 1013398634 /nfs/dbraw/zinc/39/86/34/1013398634.db2.gz JWGASAKRVAGNDB-YADHBBJMSA-N 1 3 407.643 3.625 20 0 HHADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537840047 1013401188 /nfs/dbraw/zinc/40/11/88/1013401188.db2.gz APAKPDLLVYUJGU-LJQANCHMSA-N 1 3 412.553 3.806 20 0 HHADHO C[C@H](CNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845756 1013410575 /nfs/dbraw/zinc/41/05/75/1013410575.db2.gz MQNXDKRPRHHRCB-RTWAWAEBSA-N 1 3 408.590 3.928 20 0 HHADHO Cc1cc(O[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C(C)C ZINC000050797786 964399838 /nfs/dbraw/zinc/39/98/38/964399838.db2.gz GSOXKPWHIUYSKG-IBGZPJMESA-N 1 3 401.595 3.561 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)CC1 ZINC000050802421 964401856 /nfs/dbraw/zinc/40/18/56/964401856.db2.gz TZMDSCKWOLIMQW-UHFFFAOYSA-N 1 3 418.541 3.783 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000051240000 964504044 /nfs/dbraw/zinc/50/40/44/964504044.db2.gz XBTPVFSWLJIAGM-AWEZNQCLSA-N 1 3 413.393 3.912 20 0 HHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959354 1013538944 /nfs/dbraw/zinc/53/89/44/1013538944.db2.gz DAEYYKAJIGMUEL-HSALFYBXSA-N 1 3 411.359 3.933 20 0 HHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000537969204 1013546668 /nfs/dbraw/zinc/54/66/68/1013546668.db2.gz PQXJGBRWYSDUGE-PMACEKPBSA-N 1 3 409.574 3.803 20 0 HHADHO O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000054037562 965366632 /nfs/dbraw/zinc/36/66/32/965366632.db2.gz NYOMGEMIRMDLNA-MOPGFXCFSA-N 1 3 400.523 3.536 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054043721 965369775 /nfs/dbraw/zinc/36/97/75/965369775.db2.gz JDJXMLVBISXICI-NRFANRHFSA-N 1 3 412.603 3.849 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000061865130 966566603 /nfs/dbraw/zinc/56/66/03/966566603.db2.gz JVMUURVUVSJTOQ-UHFFFAOYSA-N 1 3 408.590 3.774 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000061865130 966566607 /nfs/dbraw/zinc/56/66/07/966566607.db2.gz JVMUURVUVSJTOQ-UHFFFAOYSA-N 1 3 408.590 3.774 20 0 HHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000062476505 966684152 /nfs/dbraw/zinc/68/41/52/966684152.db2.gz FJMICPJJPFUVQG-UHFFFAOYSA-N 1 3 412.553 3.695 20 0 HHADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000062530271 966698541 /nfs/dbraw/zinc/69/85/41/966698541.db2.gz NJDMXEOKHIPGDF-QHCPKHFHSA-N 1 3 400.611 3.503 20 0 HHADHO COc1ccc([C@H](NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)cc1 ZINC000538143214 1013704157 /nfs/dbraw/zinc/70/41/57/1013704157.db2.gz GXMBBLJWXPQSGA-RUZDIDTESA-N 1 3 409.574 3.894 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000065521393 967505499 /nfs/dbraw/zinc/50/54/99/967505499.db2.gz PTRYXUHOJWHKKO-CVDCTZTESA-N 1 3 412.553 3.734 20 0 HHADHO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCCN(C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891000 1013736266 /nfs/dbraw/zinc/73/62/66/1013736266.db2.gz LKLMGJWQQPFIAG-QFIPXVFZSA-N 1 3 402.583 3.636 20 0 HHADHO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCCN(C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000542891000 1013736274 /nfs/dbraw/zinc/73/62/74/1013736274.db2.gz LKLMGJWQQPFIAG-QFIPXVFZSA-N 1 3 402.583 3.636 20 0 HHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065866559 968688694 /nfs/dbraw/zinc/68/86/94/968688694.db2.gz WHBOSQZRDMDRLE-ISKFKSNPSA-N 1 3 409.549 3.819 20 0 HHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065866559 968688701 /nfs/dbraw/zinc/68/87/01/968688701.db2.gz WHBOSQZRDMDRLE-ISKFKSNPSA-N 1 3 409.549 3.819 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000139927659 970054533 /nfs/dbraw/zinc/05/45/33/970054533.db2.gz VIYGHTADHCBHQF-FQEVSTJZSA-N 1 3 418.651 3.912 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000139927659 970054541 /nfs/dbraw/zinc/05/45/41/970054541.db2.gz VIYGHTADHCBHQF-FQEVSTJZSA-N 1 3 418.651 3.912 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000236838808 970178283 /nfs/dbraw/zinc/17/82/83/970178283.db2.gz HIQBOWCVQRWNRK-UHFFFAOYSA-N 1 3 417.601 3.716 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236838899 970178446 /nfs/dbraw/zinc/17/84/46/970178446.db2.gz VPQYYUNYTHEUAH-UHFFFAOYSA-N 1 3 423.630 3.777 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236839210 970178487 /nfs/dbraw/zinc/17/84/87/970178487.db2.gz OSJRORVWTXLJQB-UHFFFAOYSA-N 1 3 409.603 3.718 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000236952401 970194108 /nfs/dbraw/zinc/19/41/08/970194108.db2.gz VSJJKGGDLDRDPJ-GOSISDBHSA-N 1 3 418.029 3.565 20 0 HHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000237102057 970221983 /nfs/dbraw/zinc/22/19/83/970221983.db2.gz RPQWQWQFLBYEIT-UHFFFAOYSA-N 1 3 413.928 3.706 20 0 HHADHO COC(=O)COc1c(C)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237189736 970238923 /nfs/dbraw/zinc/23/89/23/970238923.db2.gz XAYAEQOXBCKHGF-REWPJTCUSA-N 1 3 410.558 3.998 20 0 HHADHO COC(=O)COc1c(C)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237189736 970238927 /nfs/dbraw/zinc/23/89/27/970238927.db2.gz XAYAEQOXBCKHGF-REWPJTCUSA-N 1 3 410.558 3.998 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426422316 974440287 /nfs/dbraw/zinc/44/02/87/974440287.db2.gz VMCVFSKSGITBQN-HXUWFJFHSA-N 1 3 411.590 3.649 20 0 HHADHO CC(C)CNC(=O)c1cccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770261 974647565 /nfs/dbraw/zinc/64/75/65/974647565.db2.gz QJWHINWLVPEPCO-OYRHEFFESA-N 1 3 415.622 3.784 20 0 HHADHO CC(C)CNC(=O)c1cccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770261 974647569 /nfs/dbraw/zinc/64/75/69/974647569.db2.gz QJWHINWLVPEPCO-OYRHEFFESA-N 1 3 415.622 3.784 20 0 HHADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427506210 975151626 /nfs/dbraw/zinc/15/16/26/975151626.db2.gz NCJJHIQEKOCTEQ-ZEQRLZLVSA-N 1 3 406.574 3.833 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846674 975319116 /nfs/dbraw/zinc/31/91/16/975319116.db2.gz ANKNMWLWKUMMON-UYAOXDASSA-N 1 3 405.464 3.834 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846674 975319119 /nfs/dbraw/zinc/31/91/19/975319119.db2.gz ANKNMWLWKUMMON-UYAOXDASSA-N 1 3 405.464 3.834 20 0 HHADHO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000428243767 975559467 /nfs/dbraw/zinc/55/94/67/975559467.db2.gz UPEIXSMZLXRGCV-PEISPCAHSA-N 1 3 407.606 3.669 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428534071 975829266 /nfs/dbraw/zinc/82/92/66/975829266.db2.gz DTHDFXPEKKENEL-ILBGXUMGSA-N 1 3 411.565 3.614 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428534073 975830073 /nfs/dbraw/zinc/83/00/73/975830073.db2.gz DTHDFXPEKKENEL-UKILVPOCSA-N 1 3 411.565 3.614 20 0 HHADHO C[C@H]1CN(CCC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000429495475 976753329 /nfs/dbraw/zinc/75/33/29/976753329.db2.gz WGWKQMNTWNGMAN-VXKWHMMOSA-N 1 3 422.658 3.564 20 0 HHADHO COc1cccc([C@H](C)[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000429812033 977085503 /nfs/dbraw/zinc/08/55/03/977085503.db2.gz VLWVORVACBMDRJ-FQEVSTJZSA-N 1 3 409.574 3.716 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824601 977780227 /nfs/dbraw/zinc/78/02/27/977780227.db2.gz XFBDQFKSFJTGED-WTIAFYNJSA-N 1 3 400.538 3.688 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824601 977780231 /nfs/dbraw/zinc/78/02/31/977780231.db2.gz XFBDQFKSFJTGED-WTIAFYNJSA-N 1 3 400.538 3.688 20 0 HHADHO CCN(CC)[C@H](CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccsc1 ZINC000431131047 978038609 /nfs/dbraw/zinc/03/86/09/978038609.db2.gz YCJIKFIPSODZGE-LJQANCHMSA-N 1 3 418.611 3.724 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854705 978554002 /nfs/dbraw/zinc/55/40/02/978554002.db2.gz PNHLMOJJVBMSQL-ZRCGQRJVSA-N 1 3 405.627 3.521 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854705 978554004 /nfs/dbraw/zinc/55/40/04/978554004.db2.gz PNHLMOJJVBMSQL-ZRCGQRJVSA-N 1 3 405.627 3.521 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854702 978554025 /nfs/dbraw/zinc/55/40/25/978554025.db2.gz PNHLMOJJVBMSQL-MZKRTTBSSA-N 1 3 405.627 3.521 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@H](C)O1 ZINC000431854702 978554028 /nfs/dbraw/zinc/55/40/28/978554028.db2.gz PNHLMOJJVBMSQL-MZKRTTBSSA-N 1 3 405.627 3.521 20 0 HHADHO CC[C@@]1(CO)CCCN(Cc2cc(C[N@@H+]3CCC[C@@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792090 978975611 /nfs/dbraw/zinc/97/56/11/978975611.db2.gz IOTQZQONHMPDTR-JWQCQUIFSA-N 1 3 418.622 3.664 20 0 HHADHO CC[C@@]1(CO)CCCN(Cc2cc(C[N@H+]3CCC[C@@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792090 978975613 /nfs/dbraw/zinc/97/56/13/978975613.db2.gz IOTQZQONHMPDTR-JWQCQUIFSA-N 1 3 418.622 3.664 20 0 HHADHO COc1cccc(CNC(=O)[C@H](C)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433115939 979080181 /nfs/dbraw/zinc/08/01/81/979080181.db2.gz QGSABTFNHFSZTN-NRFANRHFSA-N 1 3 421.585 3.688 20 0 HHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433386265 979267886 /nfs/dbraw/zinc/26/78/86/979267886.db2.gz HNRMAWTYLCTPAB-IPJJNNNSSA-N 1 3 420.569 3.925 20 0 HHADHO CCn1nccc1C1CCN(C/C=C/C[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000434743963 980375366 /nfs/dbraw/zinc/37/53/66/980375366.db2.gz GDGGULXXWAQXBC-AATRIKPKSA-N 1 3 410.610 3.735 20 0 HHADHO Nc1ccc(F)c(NC(=O)CCN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000435028414 980582121 /nfs/dbraw/zinc/58/21/21/980582121.db2.gz UTXVFZCXOIPKPM-XMMPIXPASA-N 1 3 410.537 3.725 20 0 HHADHO Nc1ccc(F)c(NC(=O)CCN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000435028414 980582123 /nfs/dbraw/zinc/58/21/23/980582123.db2.gz UTXVFZCXOIPKPM-XMMPIXPASA-N 1 3 410.537 3.725 20 0 HHADHO CCC[NH+]1CCC(NC(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000435536743 980927595 /nfs/dbraw/zinc/92/75/95/980927595.db2.gz VFXPFFNFNYQQMB-JOCHJYFZSA-N 1 3 424.593 3.634 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000436417422 981357822 /nfs/dbraw/zinc/35/78/22/981357822.db2.gz ZMCBXLKXABXMGQ-UHFFFAOYSA-N 1 3 412.544 3.583 20 0 HHADHO COc1ccccc1[C@H](C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000460363418 982138629 /nfs/dbraw/zinc/13/86/29/982138629.db2.gz OGTZVJKMBJKVBE-AQNXPRMDSA-N 1 3 409.574 3.619 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000460561290 982347067 /nfs/dbraw/zinc/34/70/67/982347067.db2.gz WCNXQFZYSOKQDH-OJJQZRKESA-N 1 3 418.585 3.595 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)[C@H]1c1ccccc1 ZINC000460561290 982347072 /nfs/dbraw/zinc/34/70/72/982347072.db2.gz WCNXQFZYSOKQDH-OJJQZRKESA-N 1 3 418.585 3.595 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006858 982720577 /nfs/dbraw/zinc/72/05/77/982720577.db2.gz JLMWMKHTMKGQFW-MLDBQTBOSA-N 1 3 424.589 3.872 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccco1 ZINC000461006858 982720581 /nfs/dbraw/zinc/72/05/81/982720581.db2.gz JLMWMKHTMKGQFW-MLDBQTBOSA-N 1 3 424.589 3.872 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429651 983092256 /nfs/dbraw/zinc/09/22/56/983092256.db2.gz NWYYNJZKJBZLQK-DQEYMECFSA-N 1 3 403.570 3.877 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429651 983092261 /nfs/dbraw/zinc/09/22/61/983092261.db2.gz NWYYNJZKJBZLQK-DQEYMECFSA-N 1 3 403.570 3.877 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438837228 983106050 /nfs/dbraw/zinc/10/60/50/983106050.db2.gz INCGRXULOBEVBV-FQEVSTJZSA-N 1 3 423.605 3.947 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438837228 983106054 /nfs/dbraw/zinc/10/60/54/983106054.db2.gz INCGRXULOBEVBV-FQEVSTJZSA-N 1 3 423.605 3.947 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185194 983674311 /nfs/dbraw/zinc/67/43/11/983674311.db2.gz JLOVRXCEPLEBFF-HYBUGGRVSA-N 1 3 421.589 3.523 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185194 983674314 /nfs/dbraw/zinc/67/43/14/983674314.db2.gz JLOVRXCEPLEBFF-HYBUGGRVSA-N 1 3 421.589 3.523 20 0 HHADHO Cc1ccccc1CCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000440329257 983724200 /nfs/dbraw/zinc/72/42/00/983724200.db2.gz UVYBAWZICRURDT-UHFFFAOYSA-N 1 3 407.602 3.888 20 0 HHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1(C)C ZINC000441340371 984194977 /nfs/dbraw/zinc/19/49/77/984194977.db2.gz YTUACMKUTOYCQD-UHFFFAOYSA-N 1 3 406.368 3.825 20 0 HHADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462016592 984994869 /nfs/dbraw/zinc/99/48/69/984994869.db2.gz RPAULOZKURCBFM-INIZCTEOSA-N 1 3 402.505 3.507 20 0 HHADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462016592 984994877 /nfs/dbraw/zinc/99/48/77/984994877.db2.gz RPAULOZKURCBFM-INIZCTEOSA-N 1 3 402.505 3.507 20 0 HHADHO CN1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1(C)C ZINC000442873513 985253400 /nfs/dbraw/zinc/25/34/00/985253400.db2.gz PJQUJVNAZYOSPI-SFHVURJKSA-N 1 3 402.583 3.942 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687609 985627245 /nfs/dbraw/zinc/62/72/45/985627245.db2.gz SDJGLGSSJNUORS-YKSBVNFPSA-N 1 3 406.574 3.602 20 0 HHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000468060801 985719025 /nfs/dbraw/zinc/71/90/25/985719025.db2.gz SRIXPSLLVNFFJJ-XPWALMASSA-N 1 3 409.574 3.988 20 0 HHADHO CCNC(=O)N1CC[C@@H](N[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809402 985739540 /nfs/dbraw/zinc/73/95/40/985739540.db2.gz IODACZYDUVPOLD-YADHBBJMSA-N 1 3 404.574 3.772 20 0 HHADHO CN1CCN(CCC[NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000463132443 986098432 /nfs/dbraw/zinc/09/84/32/986098432.db2.gz OTZMJUDQSYJQBD-HHHXNRCGSA-N 1 3 420.645 3.662 20 0 HHADHO Brc1ccc2nc(C[NH+]3CCC(CCCN4CCOCC4)CC3)oc2c1 ZINC000463146696 986116768 /nfs/dbraw/zinc/11/67/68/986116768.db2.gz OYHOSJJPOWGGKG-UHFFFAOYSA-N 1 3 422.367 3.915 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468908051 986614722 /nfs/dbraw/zinc/61/47/22/986614722.db2.gz KCPVKCIGWHDUKQ-HSALFYBXSA-N 1 3 413.587 3.753 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000468908051 986614725 /nfs/dbraw/zinc/61/47/25/986614725.db2.gz KCPVKCIGWHDUKQ-HSALFYBXSA-N 1 3 413.587 3.753 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](c4ccccc4)c4ccccc43)CC2)CC1 ZINC000445009210 987141392 /nfs/dbraw/zinc/14/13/92/987141392.db2.gz CVEZRTDDBRZTGA-DEOSSOPVSA-N 1 3 418.585 3.907 20 0 HHADHO CCCOc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469786830 987431981 /nfs/dbraw/zinc/43/19/81/987431981.db2.gz LOPBORDJXJPTCC-SFTDATJTSA-N 1 3 423.601 3.838 20 0 HHADHO C[NH+](C)Cc1cccc(NC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000470442500 988416158 /nfs/dbraw/zinc/41/61/58/988416158.db2.gz QEBDTBUIAODPPT-UHFFFAOYSA-N 1 3 414.525 3.552 20 0 HHADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746101 988785542 /nfs/dbraw/zinc/78/55/42/988785542.db2.gz NBRJZGGTDAKGQS-BJKOFHAPSA-N 1 3 406.574 3.567 20 0 HHADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746101 988785549 /nfs/dbraw/zinc/78/55/49/988785549.db2.gz NBRJZGGTDAKGQS-BJKOFHAPSA-N 1 3 406.574 3.567 20 0 HHADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464670415 988868462 /nfs/dbraw/zinc/86/84/62/988868462.db2.gz MNAKUFGULQQFHJ-FPOVZHCZSA-N 1 3 411.512 3.631 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000465419435 989765143 /nfs/dbraw/zinc/76/51/43/989765143.db2.gz FUFMKLCQWSDIFG-JWQCQUIFSA-N 1 3 422.617 3.713 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000465419435 989765154 /nfs/dbraw/zinc/76/51/54/989765154.db2.gz FUFMKLCQWSDIFG-JWQCQUIFSA-N 1 3 422.617 3.713 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425253 989769773 /nfs/dbraw/zinc/76/97/73/989769773.db2.gz BETLSWHVHASNNA-VQTJNVASSA-N 1 3 406.640 3.894 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425253 989769780 /nfs/dbraw/zinc/76/97/80/989769780.db2.gz BETLSWHVHASNNA-VQTJNVASSA-N 1 3 406.640 3.894 20 0 HHADHO Cc1c(NCC(C)(C)C)cccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465428513 989773612 /nfs/dbraw/zinc/77/36/12/989773612.db2.gz GIOOCGYWJGZBGV-UHFFFAOYSA-N 1 3 400.611 3.741 20 0 HHADHO C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431592 989776495 /nfs/dbraw/zinc/77/64/95/989776495.db2.gz KINOKFUKQUYFHD-XUZZJYLKSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431592 989776500 /nfs/dbraw/zinc/77/65/00/989776500.db2.gz KINOKFUKQUYFHD-XUZZJYLKSA-N 1 3 406.574 3.567 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491655 989839995 /nfs/dbraw/zinc/83/99/95/989839995.db2.gz VCKBLSUAHDTAHA-RBBKRZOGSA-N 1 3 404.599 3.594 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491655 989840003 /nfs/dbraw/zinc/84/00/03/989840003.db2.gz VCKBLSUAHDTAHA-RBBKRZOGSA-N 1 3 404.599 3.594 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661973 989866630 /nfs/dbraw/zinc/86/66/30/989866630.db2.gz IPSYLKFDIQQPAB-JOCHJYFZSA-N 1 3 406.574 3.679 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661973 989866643 /nfs/dbraw/zinc/86/66/43/989866643.db2.gz IPSYLKFDIQQPAB-JOCHJYFZSA-N 1 3 406.574 3.679 20 0 HHADHO C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000465524824 989881151 /nfs/dbraw/zinc/88/11/51/989881151.db2.gz DIFNXVMKHFLYAF-QFIPXVFZSA-N 1 3 420.601 3.741 20 0 HHADHO C[C@H]1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCN1Cc1ccccc1 ZINC000465524824 989881162 /nfs/dbraw/zinc/88/11/62/989881162.db2.gz DIFNXVMKHFLYAF-QFIPXVFZSA-N 1 3 420.601 3.741 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465694793 990081231 /nfs/dbraw/zinc/08/12/31/990081231.db2.gz QHHHVTIVMGAXBP-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465694793 990081241 /nfs/dbraw/zinc/08/12/41/990081241.db2.gz QHHHVTIVMGAXBP-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465822898 990206057 /nfs/dbraw/zinc/20/60/57/990206057.db2.gz ZZTUDTDOKUMZDG-QFIPXVFZSA-N 1 3 400.611 3.516 20 0 HHADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472047166 990215566 /nfs/dbraw/zinc/21/55/66/990215566.db2.gz DQSUPEPCMDYWMN-JLAWEPINSA-N 1 3 418.548 3.601 20 0 HHADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472047166 990215574 /nfs/dbraw/zinc/21/55/74/990215574.db2.gz DQSUPEPCMDYWMN-JLAWEPINSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466224015 991442489 /nfs/dbraw/zinc/44/24/89/991442489.db2.gz YRHPQBYZZKGBLS-BWKNWUBXSA-N 1 3 420.601 3.656 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285477 991533041 /nfs/dbraw/zinc/53/30/41/991533041.db2.gz FTCFTMWJWQLEON-OAQYLSRUSA-N 1 3 413.610 3.523 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285477 991533054 /nfs/dbraw/zinc/53/30/54/991533054.db2.gz FTCFTMWJWQLEON-OAQYLSRUSA-N 1 3 413.610 3.523 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163599 993995961 /nfs/dbraw/zinc/99/59/61/993995961.db2.gz AJJMLRGTLQGJOJ-NZQKXSOJSA-N 1 3 421.589 3.511 20 0 HHADHO COc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1Cl ZINC000481195824 994029379 /nfs/dbraw/zinc/02/93/79/994029379.db2.gz YAWLRPKAGXIOAZ-JXFKEZNVSA-N 1 3 401.938 3.787 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000481308383 994125665 /nfs/dbraw/zinc/12/56/65/994125665.db2.gz LFMCLVYNIIQFMT-SQJMNOBHSA-N 1 3 422.617 3.871 20 0 HHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000481974553 994867875 /nfs/dbraw/zinc/86/78/75/994867875.db2.gz OYWNSXMRHJOWJH-SFHVURJKSA-N 1 3 419.591 3.673 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134354 995084733 /nfs/dbraw/zinc/08/47/33/995084733.db2.gz LOJLPGKCECOANF-ZWKOTPCHSA-N 1 3 421.632 3.561 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134354 995084742 /nfs/dbraw/zinc/08/47/42/995084742.db2.gz LOJLPGKCECOANF-ZWKOTPCHSA-N 1 3 421.632 3.561 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134353 995084772 /nfs/dbraw/zinc/08/47/72/995084772.db2.gz LOJLPGKCECOANF-ROUUACIJSA-N 1 3 421.632 3.561 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134353 995084781 /nfs/dbraw/zinc/08/47/81/995084781.db2.gz LOJLPGKCECOANF-ROUUACIJSA-N 1 3 421.632 3.561 20 0 HHADHO COc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc12 ZINC000482244453 995225316 /nfs/dbraw/zinc/22/53/16/995225316.db2.gz NYLBCUZDWUREAP-SFHVURJKSA-N 1 3 405.542 3.991 20 0 HHADHO COc1cccc2c1CC[C@@H]2NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000482259858 995238137 /nfs/dbraw/zinc/23/81/37/995238137.db2.gz HLGAVRHRAZDWES-DEOSSOPVSA-N 1 3 410.558 3.962 20 0 HHADHO COc1cccc2c1CC[C@@H]2NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000482259858 995238142 /nfs/dbraw/zinc/23/81/42/995238142.db2.gz HLGAVRHRAZDWES-DEOSSOPVSA-N 1 3 410.558 3.962 20 0 HHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000474517699 995481583 /nfs/dbraw/zinc/48/15/83/995481583.db2.gz LLTXYZDFFIWJFQ-WOJBJXKFSA-N 1 3 412.578 3.509 20 0 HHADHO C[NH+]1CCN(c2ccc(CNCc3cc(Cl)ccc3OCC3CC3)cn2)CC1 ZINC000482682497 995675285 /nfs/dbraw/zinc/67/52/85/995675285.db2.gz VMMKIOGIBLXFPY-UHFFFAOYSA-N 1 3 400.954 3.565 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475139363 995947802 /nfs/dbraw/zinc/94/78/02/995947802.db2.gz XLTVNMACEWAVPL-DEOSSOPVSA-N 1 3 408.590 3.943 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475139363 995947811 /nfs/dbraw/zinc/94/78/11/995947811.db2.gz XLTVNMACEWAVPL-DEOSSOPVSA-N 1 3 408.590 3.943 20 0 HHADHO C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139452 995948189 /nfs/dbraw/zinc/94/81/89/995948189.db2.gz NMANSPRQQCMTHE-DVECYGJZSA-N 1 3 402.542 3.818 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483199150 996033037 /nfs/dbraw/zinc/03/30/37/996033037.db2.gz RUCTWECZWSOTIB-FQEVSTJZSA-N 1 3 401.620 3.871 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483199150 996033042 /nfs/dbraw/zinc/03/30/42/996033042.db2.gz RUCTWECZWSOTIB-FQEVSTJZSA-N 1 3 401.620 3.871 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483611696 996285778 /nfs/dbraw/zinc/28/57/78/996285778.db2.gz FUMROZVMZVBQLX-UHFFFAOYSA-N 1 3 416.635 3.806 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(OC)c1 ZINC000483705538 996339449 /nfs/dbraw/zinc/33/94/49/996339449.db2.gz BVZNLTTYMICUFR-HSZRJFAPSA-N 1 3 416.610 3.784 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000483894107 996454036 /nfs/dbraw/zinc/45/40/36/996454036.db2.gz GPZPUXKAEQAHMR-OAQYLSRUSA-N 1 3 416.635 3.618 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476012469 996540578 /nfs/dbraw/zinc/54/05/78/996540578.db2.gz RMXQHDYXVZFZPC-UHFFFAOYSA-N 1 3 422.564 3.835 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624014 997143609 /nfs/dbraw/zinc/14/36/09/997143609.db2.gz HZCOJVPRTFKCRQ-YKSBVNFPSA-N 1 3 424.589 3.652 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624014 997143622 /nfs/dbraw/zinc/14/36/22/997143622.db2.gz HZCOJVPRTFKCRQ-YKSBVNFPSA-N 1 3 424.589 3.652 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@@H]1C ZINC000485016567 997381735 /nfs/dbraw/zinc/38/17/35/997381735.db2.gz KNAWDDVSJRMYEZ-RXVVDRJESA-N 1 3 404.624 3.614 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@@H]1C ZINC000485016567 997381749 /nfs/dbraw/zinc/38/17/49/997381749.db2.gz KNAWDDVSJRMYEZ-RXVVDRJESA-N 1 3 404.624 3.614 20 0 HHADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@@H]1C ZINC000485016564 997381939 /nfs/dbraw/zinc/38/19/39/997381939.db2.gz KNAWDDVSJRMYEZ-GHTZIAJQSA-N 1 3 404.624 3.614 20 0 HHADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@@H]1C ZINC000485016564 997381949 /nfs/dbraw/zinc/38/19/49/997381949.db2.gz KNAWDDVSJRMYEZ-GHTZIAJQSA-N 1 3 404.624 3.614 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000476849595 997416302 /nfs/dbraw/zinc/41/63/02/997416302.db2.gz VFIBBEDCJDFBQK-DEOSSOPVSA-N 1 3 424.589 3.783 20 0 HHADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399171 997829326 /nfs/dbraw/zinc/82/93/26/997829326.db2.gz FZBFZFFPJBXAFO-XUZZJYLKSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399171 997829339 /nfs/dbraw/zinc/82/93/39/997829339.db2.gz FZBFZFFPJBXAFO-XUZZJYLKSA-N 1 3 420.601 3.645 20 0 HHADHO CCOc1ccc(NC(=O)CC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000485400529 997831361 /nfs/dbraw/zinc/83/13/61/997831361.db2.gz BVUOWNGPOQJSSE-WOJBJXKFSA-N 1 3 417.594 3.625 20 0 HHADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775297 998249851 /nfs/dbraw/zinc/24/98/51/998249851.db2.gz RVLROIHZFMYQIO-XPWALMASSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775297 998249864 /nfs/dbraw/zinc/24/98/64/998249864.db2.gz RVLROIHZFMYQIO-XPWALMASSA-N 1 3 412.622 3.585 20 0 HHADHO COc1cccc(CN(CCN(C)C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000478459105 998971169 /nfs/dbraw/zinc/97/11/69/998971169.db2.gz MUCITLFHTIJOIU-UHFFFAOYSA-N 1 3 424.589 3.564 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486978885 999025877 /nfs/dbraw/zinc/02/58/77/999025877.db2.gz YOWSSPKDWNRSCT-NRFANRHFSA-N 1 3 414.569 3.619 20 0 HHADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274656 999120872 /nfs/dbraw/zinc/12/08/72/999120872.db2.gz VBXPAAANNSKERL-UXHICEINSA-N 1 3 422.495 3.953 20 0 HHADHO CN1CCN(c2cccc(Cl)c2CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000478952575 999219242 /nfs/dbraw/zinc/21/92/42/999219242.db2.gz BMEVBJZUHVMLJT-NRFANRHFSA-N 1 3 413.009 3.704 20 0 HHADHO CN1CCN(c2cccc(Cl)c2CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478952575 999219250 /nfs/dbraw/zinc/21/92/50/999219250.db2.gz BMEVBJZUHVMLJT-NRFANRHFSA-N 1 3 413.009 3.704 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(C)(c4ccccc4)CC3)CC2)CC1 ZINC000487668930 999247913 /nfs/dbraw/zinc/24/79/13/999247913.db2.gz VGOAIHHZCDKCHF-UHFFFAOYSA-N 1 3 412.622 3.745 20 0 HHADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368547 999407212 /nfs/dbraw/zinc/40/72/12/999407212.db2.gz ZIJWFUNUWLNQDI-OLZOCXBDSA-N 1 3 410.411 3.802 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437282 999416906 /nfs/dbraw/zinc/41/69/06/999416906.db2.gz LRSXEWIUQVLWJF-UPVQGACJSA-N 1 3 402.542 3.606 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437282 999416909 /nfs/dbraw/zinc/41/69/09/999416909.db2.gz LRSXEWIUQVLWJF-UPVQGACJSA-N 1 3 402.542 3.606 20 0 HHADHO COc1ccc([C@H](CCn2cncn2)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444520 999420593 /nfs/dbraw/zinc/42/05/93/999420593.db2.gz IWGQFRLOIUTYRB-URXFXBBRSA-N 1 3 405.546 3.530 20 0 HHADHO COc1ccc([C@H](CCn2cncn2)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444520 999420594 /nfs/dbraw/zinc/42/05/94/999420594.db2.gz IWGQFRLOIUTYRB-URXFXBBRSA-N 1 3 405.546 3.530 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666278 999564440 /nfs/dbraw/zinc/56/44/40/999564440.db2.gz FKFNWZJMONFZBH-ZJSXRUAMSA-N 1 3 420.601 3.782 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666278 999564443 /nfs/dbraw/zinc/56/44/43/999564443.db2.gz FKFNWZJMONFZBH-ZJSXRUAMSA-N 1 3 420.601 3.782 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229496 999726763 /nfs/dbraw/zinc/72/67/63/999726763.db2.gz YFGKMIRTNGDBOP-NLWGTHIKSA-N 1 3 418.607 3.982 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229496 999726764 /nfs/dbraw/zinc/72/67/64/999726764.db2.gz YFGKMIRTNGDBOP-NLWGTHIKSA-N 1 3 418.607 3.982 20 0 HHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489236151 999728064 /nfs/dbraw/zinc/72/80/64/999728064.db2.gz RTUUTEVSLZPOOY-QHCPKHFHSA-N 1 3 400.611 3.947 20 0 HHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489236151 999728065 /nfs/dbraw/zinc/72/80/65/999728065.db2.gz RTUUTEVSLZPOOY-QHCPKHFHSA-N 1 3 400.611 3.947 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249960 999730177 /nfs/dbraw/zinc/73/01/77/999730177.db2.gz PGJNHADIFJPMGQ-PXNSSMCTSA-N 1 3 418.607 3.982 20 0 HHADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480147510 999730456 /nfs/dbraw/zinc/73/04/56/999730456.db2.gz YNFZQRBGGOBBEE-IBGZPJMESA-N 1 3 415.603 3.774 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498775 999778953 /nfs/dbraw/zinc/77/89/53/999778953.db2.gz REMJPEQQLQHVHZ-OFVILXPXSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498775 999778955 /nfs/dbraw/zinc/77/89/55/999778955.db2.gz REMJPEQQLQHVHZ-OFVILXPXSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489896263 999857708 /nfs/dbraw/zinc/85/77/08/999857708.db2.gz ITECRFAVVCZAFQ-OAQYLSRUSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489896263 999857710 /nfs/dbraw/zinc/85/77/10/999857710.db2.gz ITECRFAVVCZAFQ-OAQYLSRUSA-N 1 3 400.611 3.805 20 0 HHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000480693260 999860876 /nfs/dbraw/zinc/86/08/76/999860876.db2.gz LVUBWGURNGAAHS-QHCPKHFHSA-N 1 3 409.574 3.836 20 0 HHADHO CC[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccccc1Br ZINC000480708549 999864706 /nfs/dbraw/zinc/86/47/06/999864706.db2.gz LXCQMOZWNPIKQA-LJQANCHMSA-N 1 3 403.368 3.837 20 0 HHADHO CC[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Br ZINC000480708549 999864709 /nfs/dbraw/zinc/86/47/09/999864709.db2.gz LXCQMOZWNPIKQA-LJQANCHMSA-N 1 3 403.368 3.837 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000490354379 999943283 /nfs/dbraw/zinc/94/32/83/999943283.db2.gz LJHFCWVKOPBLOR-HLAWJBBLSA-N 1 3 417.395 3.926 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000490355636 999943572 /nfs/dbraw/zinc/94/35/72/999943572.db2.gz QSBLKVBTSRJBBF-DFQSSKMNSA-N 1 3 403.368 3.536 20 0 HHADHO C[C@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994224 1000031699 /nfs/dbraw/zinc/03/16/99/1000031699.db2.gz KHIYDNPWJGEBFW-OFVILXPXSA-N 1 3 409.574 3.816 20 0 HHADHO C[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994224 1000031701 /nfs/dbraw/zinc/03/17/01/1000031701.db2.gz KHIYDNPWJGEBFW-OFVILXPXSA-N 1 3 409.574 3.816 20 0 HHADHO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCCN3CCOCC3)CC2)c(C)c1 ZINC000506047026 1001189627 /nfs/dbraw/zinc/18/96/27/1001189627.db2.gz GJADEYCTPLBGSO-OAQYLSRUSA-N 1 3 401.595 3.763 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506176348 1001261047 /nfs/dbraw/zinc/26/10/47/1001261047.db2.gz XMJMIQAAILRZGT-MRXNPFEDSA-N 1 3 422.545 3.576 20 0 HHADHO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC4CCN(C5CC[NH+](C)CC5)CC4)cc3c2C1 ZINC000497425287 1001356962 /nfs/dbraw/zinc/35/69/62/1001356962.db2.gz LLFZYIHWTOWUQK-QGZVFWFLSA-N 1 3 408.590 3.581 20 0 HHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446151 1001369337 /nfs/dbraw/zinc/36/93/37/1001369337.db2.gz SCQKNKJMBXERQB-DYESRHJHSA-N 1 3 400.542 3.857 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526615 1001451566 /nfs/dbraw/zinc/45/15/66/1001451566.db2.gz QOOMTKNATIATJQ-TZIWHRDSSA-N 1 3 407.549 3.772 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526615 1001451568 /nfs/dbraw/zinc/45/15/68/1001451568.db2.gz QOOMTKNATIATJQ-TZIWHRDSSA-N 1 3 407.549 3.772 20 0 HHADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952213 1001725022 /nfs/dbraw/zinc/72/50/22/1001725022.db2.gz NUKVCIOAFQTVDI-VXKWHMMOSA-N 1 3 412.622 3.731 20 0 HHADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952213 1001725029 /nfs/dbraw/zinc/72/50/29/1001725029.db2.gz NUKVCIOAFQTVDI-VXKWHMMOSA-N 1 3 412.622 3.731 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507518348 1002128617 /nfs/dbraw/zinc/12/86/17/1002128617.db2.gz CPWSJIYBEHIKLD-FGCOXFRFSA-N 1 3 417.553 3.563 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000507953749 1002487192 /nfs/dbraw/zinc/48/71/92/1002487192.db2.gz UANIAOQEXNBVNT-UHFFFAOYSA-N 1 3 415.622 3.814 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000499104558 1002496691 /nfs/dbraw/zinc/49/66/91/1002496691.db2.gz WYBXKEBBJSQKNG-YFXJRYMSSA-N 1 3 412.553 3.638 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000499104558 1002496698 /nfs/dbraw/zinc/49/66/98/1002496698.db2.gz WYBXKEBBJSQKNG-YFXJRYMSSA-N 1 3 412.553 3.638 20 0 HHADHO CCc1cc(N2CCC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148869 1002531906 /nfs/dbraw/zinc/53/19/06/1002531906.db2.gz UIGFGNGJEOYEPU-JLLPCOHGSA-N 1 3 405.590 3.793 20 0 HHADHO CCc1cc(N2CCC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148869 1002531913 /nfs/dbraw/zinc/53/19/13/1002531913.db2.gz UIGFGNGJEOYEPU-JLLPCOHGSA-N 1 3 405.590 3.793 20 0 HHADHO CCN1CCN(c2ccc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151295 1002534620 /nfs/dbraw/zinc/53/46/20/1002534620.db2.gz XXKFFNXRMRRYFY-MPIKPJSNSA-N 1 3 419.617 3.509 20 0 HHADHO CCN1CCN(c2ccc(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151295 1002534629 /nfs/dbraw/zinc/53/46/29/1002534629.db2.gz XXKFFNXRMRRYFY-MPIKPJSNSA-N 1 3 419.617 3.509 20 0 HHADHO c1ccc(CN2CCO[C@@H](CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155016 1002539491 /nfs/dbraw/zinc/53/94/91/1002539491.db2.gz GGXINKXOSITPMG-QYOOZWMWSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(CN2CCO[C@@H](CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155016 1002539509 /nfs/dbraw/zinc/53/95/09/1002539509.db2.gz GGXINKXOSITPMG-QYOOZWMWSA-N 1 3 405.586 3.673 20 0 HHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+](C)C ZINC000508868488 1003288611 /nfs/dbraw/zinc/28/86/11/1003288611.db2.gz FTTNQADKGBHRNJ-XXBNENTESA-N 1 3 412.578 3.885 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000500606544 1003822868 /nfs/dbraw/zinc/82/28/68/1003822868.db2.gz JYVJKZHLHFQOED-YDPRHXJPSA-N 1 3 416.610 3.640 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579140 1003957327 /nfs/dbraw/zinc/95/73/27/1003957327.db2.gz TZZQNTRZQNGCFY-ACRUOGEOSA-N 1 3 404.599 3.862 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594403 1003968197 /nfs/dbraw/zinc/96/81/97/1003968197.db2.gz FDGJDCUMBYRMJH-KSEOMHKRSA-N 1 3 412.578 3.872 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594403 1003968200 /nfs/dbraw/zinc/96/82/00/1003968200.db2.gz FDGJDCUMBYRMJH-KSEOMHKRSA-N 1 3 412.578 3.872 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000500818366 1003977880 /nfs/dbraw/zinc/97/78/80/1003977880.db2.gz PRJPIGHZCNFQLO-XMMPIXPASA-N 1 3 421.589 3.777 20 0 HHADHO CCN(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000501017748 1004120625 /nfs/dbraw/zinc/12/06/25/1004120625.db2.gz BRSHIJMQKLEBCA-LJQANCHMSA-N 1 3 412.553 3.979 20 0 HHADHO CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019544 1004121707 /nfs/dbraw/zinc/12/17/07/1004121707.db2.gz JVZXCWVYWCNYHP-UHFFFAOYSA-N 1 3 406.452 3.887 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCCC[C@@H]12 ZINC000501056487 1004158708 /nfs/dbraw/zinc/15/87/08/1004158708.db2.gz DKGAHEYMPLLLKL-ZROJVYTPSA-N 1 3 420.686 3.586 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCCC[C@@H]12 ZINC000501056487 1004158715 /nfs/dbraw/zinc/15/87/15/1004158715.db2.gz DKGAHEYMPLLLKL-ZROJVYTPSA-N 1 3 420.686 3.586 20 0 HHADHO O=C(CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292359 1004195821 /nfs/dbraw/zinc/19/58/21/1004195821.db2.gz GWNQOESKEUHKMT-SANMLTNESA-N 1 3 403.570 3.559 20 0 HHADHO O=C(CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292359 1004195827 /nfs/dbraw/zinc/19/58/27/1004195827.db2.gz GWNQOESKEUHKMT-SANMLTNESA-N 1 3 403.570 3.559 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172979 1004253933 /nfs/dbraw/zinc/25/39/33/1004253933.db2.gz JNSYTBJDUSLUMB-NHCUHLMSSA-N 1 3 400.592 3.705 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172979 1004253942 /nfs/dbraw/zinc/25/39/42/1004253942.db2.gz JNSYTBJDUSLUMB-NHCUHLMSSA-N 1 3 400.592 3.705 20 0 HHADHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000512637344 1004449414 /nfs/dbraw/zinc/44/94/14/1004449414.db2.gz UXDKCNLUORFZAY-UBFVSLLYSA-N 1 3 405.586 3.821 20 0 HHADHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000512637343 1004449460 /nfs/dbraw/zinc/44/94/60/1004449460.db2.gz UXDKCNLUORFZAY-ISJGIBHGSA-N 1 3 405.586 3.821 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653967 1004466222 /nfs/dbraw/zinc/46/62/22/1004466222.db2.gz IGSFBTJYMCQLSB-QPTUXGOLSA-N 1 3 408.542 3.629 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512653967 1004466228 /nfs/dbraw/zinc/46/62/28/1004466228.db2.gz IGSFBTJYMCQLSB-QPTUXGOLSA-N 1 3 408.542 3.629 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713327 1004512007 /nfs/dbraw/zinc/51/20/07/1004512007.db2.gz ZLSWWAIIHBYQOH-RBUKOAKNSA-N 1 3 402.583 3.538 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713327 1004512016 /nfs/dbraw/zinc/51/20/16/1004512016.db2.gz ZLSWWAIIHBYQOH-RBUKOAKNSA-N 1 3 402.583 3.538 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@H]1C ZINC000512800963 1004566635 /nfs/dbraw/zinc/56/66/35/1004566635.db2.gz BTKPRNKNLZFQSG-KAGYGMCKSA-N 1 3 404.599 3.591 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@H]1C ZINC000512800963 1004566644 /nfs/dbraw/zinc/56/66/44/1004566644.db2.gz BTKPRNKNLZFQSG-KAGYGMCKSA-N 1 3 404.599 3.591 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC1 ZINC000501913682 1004808040 /nfs/dbraw/zinc/80/80/40/1004808040.db2.gz DSKKBVOQLCZIKY-RCZVLFRGSA-N 1 3 423.605 3.506 20 0 HHADHO CC(C)N1CCN(CCC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC1 ZINC000501913682 1004808046 /nfs/dbraw/zinc/80/80/46/1004808046.db2.gz DSKKBVOQLCZIKY-RCZVLFRGSA-N 1 3 423.605 3.506 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000513346430 1004921348 /nfs/dbraw/zinc/92/13/48/1004921348.db2.gz VBQOLSVKAFZSAB-JTHBVZDNSA-N 1 3 400.611 3.615 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000513356788 1004924765 /nfs/dbraw/zinc/92/47/65/1004924765.db2.gz IHLQCMPYQVUPHN-XXBNENTESA-N 1 3 402.627 3.860 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000513373898 1004932081 /nfs/dbraw/zinc/93/20/81/1004932081.db2.gz UGIBIQQHUACYMB-HNTVYWHESA-N 1 3 400.611 3.754 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000513373898 1004932084 /nfs/dbraw/zinc/93/20/84/1004932084.db2.gz UGIBIQQHUACYMB-HNTVYWHESA-N 1 3 400.611 3.754 20 0 HHADHO CCc1cc(OC)ccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000502287218 1004994512 /nfs/dbraw/zinc/99/45/12/1004994512.db2.gz ZKMXXWZCSXPOCH-UHFFFAOYSA-N 1 3 423.601 3.718 20 0 HHADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000511245356 1005088524 /nfs/dbraw/zinc/08/85/24/1005088524.db2.gz ARARLAONDBQVKB-OAQYLSRUSA-N 1 3 410.606 3.867 20 0 HHADHO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000511245356 1005088533 /nfs/dbraw/zinc/08/85/33/1005088533.db2.gz ARARLAONDBQVKB-OAQYLSRUSA-N 1 3 410.606 3.867 20 0 HHADHO Cc1occc1C(=O)NC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000513762854 1005114453 /nfs/dbraw/zinc/11/44/53/1005114453.db2.gz TZQMAALQHOVGJK-UHFFFAOYSA-N 1 3 424.589 3.513 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000513831117 1005149791 /nfs/dbraw/zinc/14/97/91/1005149791.db2.gz KMVRWMCNRSDJTK-OYRHEFFESA-N 1 3 415.622 3.880 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(CCN(C)C)Cc3cccs3)CC2)CC1 ZINC000502787411 1005217400 /nfs/dbraw/zinc/21/74/00/1005217400.db2.gz HUMCXJSLTLPMDC-UHFFFAOYSA-N 1 3 406.640 3.864 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000502814598 1005228794 /nfs/dbraw/zinc/22/87/94/1005228794.db2.gz YNSMGMGUVYMFKY-XMMPIXPASA-N 1 3 408.590 3.904 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000511626820 1005250308 /nfs/dbraw/zinc/25/03/08/1005250308.db2.gz MIIJMCORZBDVGU-UHFFFAOYSA-N 1 3 415.622 3.706 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000502878027 1005255132 /nfs/dbraw/zinc/25/51/32/1005255132.db2.gz UIONLMWZPCTDOR-SZPZYZBQSA-N 1 3 400.611 3.662 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000502878027 1005255137 /nfs/dbraw/zinc/25/51/37/1005255137.db2.gz UIONLMWZPCTDOR-SZPZYZBQSA-N 1 3 400.611 3.662 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000502878026 1005255379 /nfs/dbraw/zinc/25/53/79/1005255379.db2.gz UIONLMWZPCTDOR-FGZHOGPDSA-N 1 3 400.611 3.662 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)[NH+](C)C)cc1 ZINC000514175781 1005299150 /nfs/dbraw/zinc/29/91/50/1005299150.db2.gz FTPVIYVBSUOWCL-PMACEKPBSA-N 1 3 400.592 3.796 20 0 HHADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000514181906 1005301329 /nfs/dbraw/zinc/30/13/29/1005301329.db2.gz GPSAMFLTAXXQFT-FQEVSTJZSA-N 1 3 406.640 3.942 20 0 HHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503400023 1005408425 /nfs/dbraw/zinc/40/84/25/1005408425.db2.gz MZJGTCSBUOMMJU-BJKOFHAPSA-N 1 3 412.622 3.949 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1)Cc1ccccc1 ZINC000531167203 1006026151 /nfs/dbraw/zinc/02/61/51/1006026151.db2.gz GXPAPMJJTDDVBO-UHFFFAOYSA-N 1 3 405.586 3.636 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677683 1006348767 /nfs/dbraw/zinc/34/87/67/1006348767.db2.gz KXSYTKWPZHNPHK-PUHATCMVSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677683 1006348775 /nfs/dbraw/zinc/34/87/75/1006348775.db2.gz KXSYTKWPZHNPHK-PUHATCMVSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677683 1006348783 /nfs/dbraw/zinc/34/87/83/1006348783.db2.gz KXSYTKWPZHNPHK-PUHATCMVSA-N 1 3 412.647 3.537 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000532321592 1006793037 /nfs/dbraw/zinc/79/30/37/1006793037.db2.gz BMYLBZNNUYTWSR-HXUWFJFHSA-N 1 3 413.997 3.636 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(N[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)cc2)CC1 ZINC000538535616 1006797851 /nfs/dbraw/zinc/79/78/51/1006797851.db2.gz SFCIPRUXPJXUGI-BKMJKUGQSA-N 1 3 422.617 3.698 20 0 HHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000538591025 1006859031 /nfs/dbraw/zinc/85/90/31/1006859031.db2.gz XCJIZCRUXLHKRO-CPJSRVTESA-N 1 3 416.569 3.688 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987187 1007045673 /nfs/dbraw/zinc/04/56/73/1007045673.db2.gz ZQMPGYQLJCBRPV-XMMPIXPASA-N 1 3 420.601 3.987 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987187 1007045685 /nfs/dbraw/zinc/04/56/85/1007045685.db2.gz ZQMPGYQLJCBRPV-XMMPIXPASA-N 1 3 420.601 3.987 20 0 HHADHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949410 1007236739 /nfs/dbraw/zinc/23/67/39/1007236739.db2.gz NRTZKEJCWCAXTD-GOSISDBHSA-N 1 3 403.636 3.855 20 0 HHADHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1)CC1CC1 ZINC000538949410 1007236752 /nfs/dbraw/zinc/23/67/52/1007236752.db2.gz NRTZKEJCWCAXTD-GOSISDBHSA-N 1 3 403.636 3.855 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532949926 1007319468 /nfs/dbraw/zinc/31/94/68/1007319468.db2.gz DISVZSVUIFDYFW-INIZCTEOSA-N 1 3 415.651 3.993 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532949926 1007319479 /nfs/dbraw/zinc/31/94/79/1007319479.db2.gz DISVZSVUIFDYFW-INIZCTEOSA-N 1 3 415.651 3.993 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539060408 1007353793 /nfs/dbraw/zinc/35/37/93/1007353793.db2.gz SFGQSVOVFMBBGV-NMNUPHIUSA-N 1 3 416.610 3.979 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340263 1007392845 /nfs/dbraw/zinc/39/28/45/1007392845.db2.gz MKPNNDPRTMLFEX-NYVOZVTQSA-N 1 3 412.603 3.705 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340263 1007392859 /nfs/dbraw/zinc/39/28/59/1007392859.db2.gz MKPNNDPRTMLFEX-NYVOZVTQSA-N 1 3 412.603 3.705 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509470 1007564878 /nfs/dbraw/zinc/56/48/78/1007564878.db2.gz VRKSAMRLYRYRFF-UGSOOPFHSA-N 1 3 400.792 3.705 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000517501637 1007724666 /nfs/dbraw/zinc/72/46/66/1007724666.db2.gz HRDDRQRWYBLTKL-OAQYLSRUSA-N 1 3 422.658 3.754 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000517501637 1007724676 /nfs/dbraw/zinc/72/46/76/1007724676.db2.gz HRDDRQRWYBLTKL-OAQYLSRUSA-N 1 3 422.658 3.754 20 0 HHADHO COC(=O)c1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519175 1007828857 /nfs/dbraw/zinc/82/88/57/1007828857.db2.gz NMVFSEVODVZVAE-LPHOPBHVSA-N 1 3 409.452 3.993 20 0 HHADHO COC(=O)c1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519175 1007828886 /nfs/dbraw/zinc/82/88/86/1007828886.db2.gz NMVFSEVODVZVAE-LPHOPBHVSA-N 1 3 409.452 3.993 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945933 1007978741 /nfs/dbraw/zinc/97/87/41/1007978741.db2.gz YRDIOCBJSANDHT-LEWJYISDSA-N 1 3 418.651 3.894 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708184 1008026563 /nfs/dbraw/zinc/02/65/63/1008026563.db2.gz BVLHSOXOIGSLBR-DENIHFKCSA-N 1 3 419.573 3.685 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708184 1008026567 /nfs/dbraw/zinc/02/65/67/1008026567.db2.gz BVLHSOXOIGSLBR-DENIHFKCSA-N 1 3 419.573 3.685 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536095649 1008118236 /nfs/dbraw/zinc/11/82/36/1008118236.db2.gz MWWPXYXJIVUHCX-RPWUZVMVSA-N 1 3 406.574 3.704 20 0 HHADHO COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824222 1008119168 /nfs/dbraw/zinc/11/91/68/1008119168.db2.gz DRGODZXMZJICOI-RDPSFJRHSA-N 1 3 423.601 3.829 20 0 HHADHO Cc1nc(COc2ccc(C[N@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000539829355 1008123651 /nfs/dbraw/zinc/12/36/51/1008123651.db2.gz SZHYTOWQSCQANJ-QFIPXVFZSA-N 1 3 406.530 3.911 20 0 HHADHO Cc1nc(COc2ccc(C[N@@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000539829355 1008123654 /nfs/dbraw/zinc/12/36/54/1008123654.db2.gz SZHYTOWQSCQANJ-QFIPXVFZSA-N 1 3 406.530 3.911 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000539975614 1008216650 /nfs/dbraw/zinc/21/66/50/1008216650.db2.gz AAEIUUOWVFCRHT-DNQXCXABSA-N 1 3 421.589 3.775 20 0 HHADHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000540171237 1008321097 /nfs/dbraw/zinc/32/10/97/1008321097.db2.gz PAOBVZXSYRNJME-JOCHJYFZSA-N 1 3 423.557 3.524 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000540187193 1008327606 /nfs/dbraw/zinc/32/76/06/1008327606.db2.gz VENOIAZNMUURIQ-UGKGYDQZSA-N 1 3 402.579 3.804 20 0 HHADHO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540248796 1008352503 /nfs/dbraw/zinc/35/25/03/1008352503.db2.gz UJDUFJLVNRYPCN-VAMGGRTRSA-N 1 3 413.562 3.993 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301482 1008372620 /nfs/dbraw/zinc/37/26/20/1008372620.db2.gz ZTIGUNRSIQFLEE-ISKFKSNPSA-N 1 3 407.558 3.633 20 0 HHADHO COc1ccc([C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301482 1008372622 /nfs/dbraw/zinc/37/26/22/1008372622.db2.gz ZTIGUNRSIQFLEE-ISKFKSNPSA-N 1 3 407.558 3.633 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)CC2)CC1 ZINC000518670158 1008385915 /nfs/dbraw/zinc/38/59/15/1008385915.db2.gz YARAMTODMYONCM-XMMPIXPASA-N 1 3 423.605 3.963 20 0 HHADHO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000540494135 1008454314 /nfs/dbraw/zinc/45/43/14/1008454314.db2.gz QAFLKYLYLNLBDV-PZJWPPBQSA-N 1 3 407.558 3.852 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000549165385 1008736833 /nfs/dbraw/zinc/73/68/33/1008736833.db2.gz MTNJEHSKKIFJFI-JOCHJYFZSA-N 1 3 411.546 3.533 20 0 HHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000519656430 1008943979 /nfs/dbraw/zinc/94/39/79/1008943979.db2.gz WPWGWQRSYULWKP-FQEVSTJZSA-N 1 3 400.954 3.679 20 0 HHADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453469 1009043878 /nfs/dbraw/zinc/04/38/78/1009043878.db2.gz CKSUFZBWSHCMFO-NHCUHLMSSA-N 1 3 400.954 3.516 20 0 HHADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000549453469 1009043884 /nfs/dbraw/zinc/04/38/84/1009043884.db2.gz CKSUFZBWSHCMFO-NHCUHLMSSA-N 1 3 400.954 3.516 20 0 HHADHO c1cnn(-c2cccc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868370 1009488115 /nfs/dbraw/zinc/48/81/15/1009488115.db2.gz VIHISCGKORDEIB-XMMPIXPASA-N 1 3 416.569 3.891 20 0 HHADHO c1cnn(-c2cccc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868370 1009488123 /nfs/dbraw/zinc/48/81/23/1009488123.db2.gz VIHISCGKORDEIB-XMMPIXPASA-N 1 3 416.569 3.891 20 0 HHADHO c1cnn(-c2cccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868370 1009488128 /nfs/dbraw/zinc/48/81/28/1009488128.db2.gz VIHISCGKORDEIB-XMMPIXPASA-N 1 3 416.569 3.891 20 0 HHADHO Cc1ccccc1[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000543944956 1009539215 /nfs/dbraw/zinc/53/92/15/1009539215.db2.gz WPBVQOCNWOXTEM-QQKQFIJSSA-N 1 3 401.639 3.842 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000543993216 1009592852 /nfs/dbraw/zinc/59/28/52/1009592852.db2.gz WGSBURPUYUVNPJ-IAOVAPTHSA-N 1 3 409.596 3.721 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000543993216 1009592860 /nfs/dbraw/zinc/59/28/60/1009592860.db2.gz WGSBURPUYUVNPJ-IAOVAPTHSA-N 1 3 409.596 3.721 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000543998234 1009599542 /nfs/dbraw/zinc/59/95/42/1009599542.db2.gz PDUWOMXHFMVCAC-MSOLQXFVSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000543998234 1009599563 /nfs/dbraw/zinc/59/95/63/1009599563.db2.gz PDUWOMXHFMVCAC-MSOLQXFVSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000543998234 1009599570 /nfs/dbraw/zinc/59/95/70/1009599570.db2.gz PDUWOMXHFMVCAC-MSOLQXFVSA-N 1 3 400.567 3.606 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040040 1009642069 /nfs/dbraw/zinc/64/20/69/1009642069.db2.gz TXYXZIUXUQOLQY-RTBURBONSA-N 1 3 414.594 3.710 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040040 1009642093 /nfs/dbraw/zinc/64/20/93/1009642093.db2.gz TXYXZIUXUQOLQY-RTBURBONSA-N 1 3 414.594 3.710 20 0 HHADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733353 1009802971 /nfs/dbraw/zinc/80/29/71/1009802971.db2.gz AQXPSTIFUNQRCA-WIYYLYMNSA-N 1 3 409.496 3.574 20 0 HHADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733353 1009802992 /nfs/dbraw/zinc/80/29/92/1009802992.db2.gz AQXPSTIFUNQRCA-WIYYLYMNSA-N 1 3 409.496 3.574 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000521070045 1010087421 /nfs/dbraw/zinc/08/74/21/1010087421.db2.gz CNIMDXQDUFNBOW-LJQANCHMSA-N 1 3 409.018 3.925 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000521070045 1010087437 /nfs/dbraw/zinc/08/74/37/1010087437.db2.gz CNIMDXQDUFNBOW-LJQANCHMSA-N 1 3 409.018 3.925 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117401 1010138799 /nfs/dbraw/zinc/13/87/99/1010138799.db2.gz ODWBUGNQUYPFAS-MSOLQXFVSA-N 1 3 410.389 3.772 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCN(C)C(C)C)CC1 ZINC000544828681 1010420019 /nfs/dbraw/zinc/42/00/19/1010420019.db2.gz XNSRCHOPMIRHAP-UHFFFAOYSA-N 1 3 410.400 3.682 20 0 HHADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000521680218 1010545751 /nfs/dbraw/zinc/54/57/51/1010545751.db2.gz WPLJPTDXZPTOCG-UHFFFAOYSA-N 1 3 414.516 3.651 20 0 HHADHO C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155511 1010547728 /nfs/dbraw/zinc/54/77/28/1010547728.db2.gz XHBFWGWEKMYYMM-MZKRTTBSSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155511 1010547739 /nfs/dbraw/zinc/54/77/39/1010547739.db2.gz XHBFWGWEKMYYMM-MZKRTTBSSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000521685953 1010550119 /nfs/dbraw/zinc/55/01/19/1010550119.db2.gz ODJIVZSDECUGHH-KRWDZBQOSA-N 1 3 414.516 3.511 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000521687390 1010551908 /nfs/dbraw/zinc/55/19/08/1010551908.db2.gz PIXZXEPFBAJRMQ-SFHVURJKSA-N 1 3 410.553 3.693 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000521687390 1010551917 /nfs/dbraw/zinc/55/19/17/1010551917.db2.gz PIXZXEPFBAJRMQ-SFHVURJKSA-N 1 3 410.553 3.693 20 0 HHADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000521700172 1010560321 /nfs/dbraw/zinc/56/03/21/1010560321.db2.gz VFTNPZNJJUZMCC-OALUTQOASA-N 1 3 404.624 3.662 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000521815858 1010637523 /nfs/dbraw/zinc/63/75/23/1010637523.db2.gz CBHTZHDYPPWIQC-UHFFFAOYSA-N 1 3 406.368 3.826 20 0 HHADHO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548483577 1010641889 /nfs/dbraw/zinc/64/18/89/1010641889.db2.gz NTVDOZVBVNGJNH-LRQRDZAKSA-N 1 3 403.364 3.983 20 0 HHADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)CC3 ZINC000545189483 1010677937 /nfs/dbraw/zinc/67/79/37/1010677937.db2.gz ONHFRTNHAVPRQQ-NRFANRHFSA-N 1 3 418.585 3.571 20 0 HHADHO COc1ccc2cc(CN(C)C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000522694219 1011162022 /nfs/dbraw/zinc/16/20/22/1011162022.db2.gz SIELOKQDXOEYME-UHFFFAOYSA-N 1 3 424.589 3.548 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830471 1011266823 /nfs/dbraw/zinc/26/68/23/1011266823.db2.gz WPUAUFSFDLGKCP-PXDATVDWSA-N 1 3 420.601 3.984 20 0 HHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830471 1011266832 /nfs/dbraw/zinc/26/68/32/1011266832.db2.gz WPUAUFSFDLGKCP-PXDATVDWSA-N 1 3 420.601 3.984 20 0 HHADHO CN(C)[C@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000536593491 1011756489 /nfs/dbraw/zinc/75/64/89/1011756489.db2.gz MMUNKSREBYGZBS-HSZRJFAPSA-N 1 3 409.578 3.632 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000541156114 1011817706 /nfs/dbraw/zinc/81/77/06/1011817706.db2.gz SPQVEZRXCUHUFV-QHCPKHFHSA-N 1 3 408.030 3.941 20 0 HHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000536674932 1011835177 /nfs/dbraw/zinc/83/51/77/1011835177.db2.gz IQBVLDFMAJGMTN-UHFFFAOYSA-N 1 3 404.986 3.744 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000541254782 1011937295 /nfs/dbraw/zinc/93/72/95/1011937295.db2.gz IKNCKTMSXZPAPB-AWEZNQCLSA-N 1 3 421.607 3.865 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000536857564 1012091084 /nfs/dbraw/zinc/09/10/84/1012091084.db2.gz KSYGGHKWRSAOMS-QGZVFWFLSA-N 1 3 417.500 3.964 20 0 HHADHO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000541535212 1012318242 /nfs/dbraw/zinc/31/82/42/1012318242.db2.gz SRTSVDOIZSSLNE-UHFFFAOYSA-N 1 3 408.481 3.501 20 0 HHADHO Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000552332470 1012341078 /nfs/dbraw/zinc/34/10/78/1012341078.db2.gz SYUMKGLYQHJMPI-MISYRCLQSA-N 1 3 403.368 3.536 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365594 1012374950 /nfs/dbraw/zinc/37/49/50/1012374950.db2.gz JXMKCBCKCLRFQL-BVSLBCMMSA-N 1 3 417.544 3.619 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000552365594 1012374965 /nfs/dbraw/zinc/37/49/65/1012374965.db2.gz JXMKCBCKCLRFQL-BVSLBCMMSA-N 1 3 417.544 3.619 20 0 HHADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552404014 1012416780 /nfs/dbraw/zinc/41/67/80/1012416780.db2.gz QJINHKZPIJWZHU-OAQYLSRUSA-N 1 3 407.549 3.724 20 0 HHADHO COc1ccccc1[C@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)N(C)C ZINC000537168061 1012570438 /nfs/dbraw/zinc/57/04/38/1012570438.db2.gz UAILAMPFDIABEF-VXKWHMMOSA-N 1 3 409.574 3.876 20 0 HHADHO COc1ccccc1[C@@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)N(C)C ZINC000537168060 1012571333 /nfs/dbraw/zinc/57/13/33/1012571333.db2.gz UAILAMPFDIABEF-FGZHOGPDSA-N 1 3 409.574 3.876 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O2 ZINC000537190938 1012604140 /nfs/dbraw/zinc/60/41/40/1012604140.db2.gz HYQACOQNJHRPDW-OAQYLSRUSA-N 1 3 411.521 3.523 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541759277 1012620898 /nfs/dbraw/zinc/62/08/98/1012620898.db2.gz GXIFOOLYYNCFHU-UHFFFAOYSA-N 1 3 416.013 3.684 20 0 HHADHO CN1CC[NH+](CC2(C)CCN(Cc3c(Cl)cccc3N3CCCC3)CC2)CC1 ZINC000541761019 1012623208 /nfs/dbraw/zinc/62/32/08/1012623208.db2.gz POBWZISIDGQMKX-UHFFFAOYSA-N 1 3 405.030 3.790 20 0 HHADHO CSC[C@@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913396 1012770521 /nfs/dbraw/zinc/77/05/21/1012770521.db2.gz IXACEOLVJDCKIA-QZTJIDSGSA-N 1 3 417.541 3.642 20 0 HHADHO CSC[C@@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913396 1012770533 /nfs/dbraw/zinc/77/05/33/1012770533.db2.gz IXACEOLVJDCKIA-QZTJIDSGSA-N 1 3 417.541 3.642 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919151 1012779763 /nfs/dbraw/zinc/77/97/63/1012779763.db2.gz UKXIEJQYSJCWLI-HNAYVOBHSA-N 1 3 406.473 3.714 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919151 1012779778 /nfs/dbraw/zinc/77/97/78/1012779778.db2.gz UKXIEJQYSJCWLI-HNAYVOBHSA-N 1 3 406.473 3.714 20 0 HHADHO CCc1ccc([C@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)N(C)C)cc1 ZINC000552923951 1012924130 /nfs/dbraw/zinc/92/41/30/1012924130.db2.gz SZZVPGZVFAGEOM-VWLOTQADSA-N 1 3 422.617 3.812 20 0 HHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000537488121 1012999291 /nfs/dbraw/zinc/99/92/91/1012999291.db2.gz NVGAVPRIKVTFJK-JXFKEZNVSA-N 1 3 407.480 3.645 20 0 HHADHO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001126870376 1072858051 /nfs/dbraw/zinc/85/80/51/1072858051.db2.gz RUADQYDYWCAYCI-KROBSHITSA-N 1 3 421.585 3.763 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(CCOc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000588711367 1073156120 /nfs/dbraw/zinc/15/61/20/1073156120.db2.gz ONLRONILFDSQQU-CALCHBBNSA-N 1 3 400.485 3.905 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(CCOc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000588711367 1073156123 /nfs/dbraw/zinc/15/61/23/1073156123.db2.gz ONLRONILFDSQQU-CALCHBBNSA-N 1 3 400.485 3.905 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502574 1075205574 /nfs/dbraw/zinc/20/55/74/1075205574.db2.gz UJMDQAYRNKSMSV-DENIHFKCSA-N 1 3 410.562 3.974 20 0 HHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768936 721235705 /nfs/dbraw/zinc/23/57/05/721235705.db2.gz YUWXLPHKBZPGLN-KMDXXIMOSA-N 1 3 422.621 3.710 20 0 HHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768936 721235712 /nfs/dbraw/zinc/23/57/12/721235712.db2.gz YUWXLPHKBZPGLN-KMDXXIMOSA-N 1 3 422.621 3.710 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020638 721826410 /nfs/dbraw/zinc/82/64/10/721826410.db2.gz CYHRQCLVFOMJBA-NKKJXINNSA-N 1 3 405.590 3.808 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020638 721826413 /nfs/dbraw/zinc/82/64/13/721826413.db2.gz CYHRQCLVFOMJBA-NKKJXINNSA-N 1 3 405.590 3.808 20 0 HHADHO Cc1ccc2nccc(N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2c1 ZINC000302171371 971194754 /nfs/dbraw/zinc/19/47/54/971194754.db2.gz UUPBFENUABCAEA-OAQYLSRUSA-N 1 3 401.558 3.977 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000303121027 971513212 /nfs/dbraw/zinc/51/32/12/971513212.db2.gz FSDSVIMGCASUOO-IAGOWNOFSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000303121027 971513221 /nfs/dbraw/zinc/51/32/21/971513221.db2.gz FSDSVIMGCASUOO-IAGOWNOFSA-N 1 3 400.485 3.949 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)CC1 ZINC000553208926 1013170444 /nfs/dbraw/zinc/17/04/44/1013170444.db2.gz JKWVPVUMGVKIJZ-UHFFFAOYSA-N 1 3 410.027 3.745 20 0 HHADHO CC(C)Oc1cccc(CNC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537842768 1013404053 /nfs/dbraw/zinc/40/40/53/1013404053.db2.gz DCEUYOKXRJEHRM-UHFFFAOYSA-N 1 3 424.589 3.724 20 0 HHADHO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843545 1013405516 /nfs/dbraw/zinc/40/55/16/1013405516.db2.gz ADHVXYKWUQUWAQ-UXHICEINSA-N 1 3 424.589 3.894 20 0 HHADHO C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC000537897889 1013482213 /nfs/dbraw/zinc/48/22/13/1013482213.db2.gz VKSHNGWVNRNTGG-NRFANRHFSA-N 1 3 421.589 3.604 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(F)cc4)CCCCC3)CC2)CC1 ZINC000050796984 964398940 /nfs/dbraw/zinc/39/89/40/964398940.db2.gz YOJHSSOWVVUAJY-UHFFFAOYSA-N 1 3 401.570 3.702 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CC(F)(F)F)c3ccccc3)CC2)CC1 ZINC000051777745 964695038 /nfs/dbraw/zinc/69/50/38/964695038.db2.gz GFRKMAXUTWFZRM-IBGZPJMESA-N 1 3 412.500 3.538 20 0 HHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000537969205 1013546965 /nfs/dbraw/zinc/54/69/65/1013546965.db2.gz PQXJGBRWYSDUGE-UXHICEINSA-N 1 3 409.574 3.803 20 0 HHADHO CC(C)(CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000057168952 965320968 /nfs/dbraw/zinc/32/09/68/965320968.db2.gz FRXFIIBGMXAVLL-UHFFFAOYSA-N 1 3 405.586 3.852 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC)c1 ZINC000029732240 965480133 /nfs/dbraw/zinc/48/01/33/965480133.db2.gz SKXPSPUJLAYORI-HXUWFJFHSA-N 1 3 404.599 3.687 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2)CC1 ZINC000057854512 965565738 /nfs/dbraw/zinc/56/57/38/965565738.db2.gz KECFJQCZHNPHQP-HSZRJFAPSA-N 1 3 400.611 3.833 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000054720006 965621086 /nfs/dbraw/zinc/62/10/86/965621086.db2.gz RVQXURNJAXGKGQ-RDPSFJRHSA-N 1 3 406.574 3.917 20 0 HHADHO COc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OCCC(C)C ZINC000542691636 1013610399 /nfs/dbraw/zinc/61/03/99/1013610399.db2.gz TZDRQHDRLOAIKE-UHFFFAOYSA-N 1 3 417.638 3.970 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000060524107 966190808 /nfs/dbraw/zinc/19/08/08/966190808.db2.gz XAQSROTXQVGPPN-UHFFFAOYSA-N 1 3 417.601 3.965 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063148919 966762245 /nfs/dbraw/zinc/76/22/45/966762245.db2.gz NULHTHXPMHLLLH-HXUWFJFHSA-N 1 3 402.652 3.627 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063148919 966762252 /nfs/dbraw/zinc/76/22/52/966762252.db2.gz NULHTHXPMHLLLH-HXUWFJFHSA-N 1 3 402.652 3.627 20 0 HHADHO CN(C)[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000064251402 967106523 /nfs/dbraw/zinc/10/65/23/967106523.db2.gz YEPVIHHVVQKPTP-NRFANRHFSA-N 1 3 400.592 3.562 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542845522 1013704933 /nfs/dbraw/zinc/70/49/33/1013704933.db2.gz AZDGBEVDUDQUDO-IIBYNOLFSA-N 1 3 408.571 3.931 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542845522 1013704937 /nfs/dbraw/zinc/70/49/37/1013704937.db2.gz AZDGBEVDUDQUDO-IIBYNOLFSA-N 1 3 408.571 3.931 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848721 1013707229 /nfs/dbraw/zinc/70/72/29/1013707229.db2.gz AYGYBKIWHFLYSD-DVECYGJZSA-N 1 3 407.558 3.621 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848721 1013707232 /nfs/dbraw/zinc/70/72/32/1013707232.db2.gz AYGYBKIWHFLYSD-DVECYGJZSA-N 1 3 407.558 3.621 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850558 1013709062 /nfs/dbraw/zinc/70/90/62/1013709062.db2.gz YXNMFGGSOLTCPQ-LAUBAEHRSA-N 1 3 419.338 3.932 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850558 1013709065 /nfs/dbraw/zinc/70/90/65/1013709065.db2.gz YXNMFGGSOLTCPQ-LAUBAEHRSA-N 1 3 419.338 3.932 20 0 HHADHO CC[NH+](CC)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000554030461 1013764236 /nfs/dbraw/zinc/76/42/36/1013764236.db2.gz GWUWITLHAPATEN-INIZCTEOSA-N 1 3 415.651 3.995 20 0 HHADHO COc1cccc([C@H](C[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268516 1013808828 /nfs/dbraw/zinc/80/88/28/1013808828.db2.gz IODNNQOGFIDZOH-GOTSBHOMSA-N 1 3 409.574 3.876 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000066037667 968778179 /nfs/dbraw/zinc/77/81/79/968778179.db2.gz JKBPCTMETCGFMZ-UHFFFAOYSA-N 1 3 412.622 3.779 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCc1nnc3n1CCCCC3)c1ccccc1O2 ZINC000538294367 1013829592 /nfs/dbraw/zinc/82/95/92/1013829592.db2.gz RBPLOCDHXCOLCP-FQEVSTJZSA-N 1 3 409.578 3.515 20 0 HHADHO CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295209 1013829943 /nfs/dbraw/zinc/82/99/43/1013829943.db2.gz YWHYJDBRHCGFHU-IFMALSPDSA-N 1 3 421.589 3.586 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297552 1013832759 /nfs/dbraw/zinc/83/27/59/1013832759.db2.gz VECSQURACQLEPZ-XXBNENTESA-N 1 3 405.542 3.649 20 0 HHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000110149174 969630078 /nfs/dbraw/zinc/63/00/78/969630078.db2.gz DUBYFEPKEWWISM-FPOVZHCZSA-N 1 3 411.512 3.678 20 0 HHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000110149174 969630081 /nfs/dbraw/zinc/63/00/81/969630081.db2.gz DUBYFEPKEWWISM-FPOVZHCZSA-N 1 3 411.512 3.678 20 0 HHADHO O=C(NCCC[NH+]1CCCCCC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000111067652 969770451 /nfs/dbraw/zinc/77/04/51/969770451.db2.gz OYLZDVBTQDPFOE-NRFANRHFSA-N 1 3 411.512 3.823 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3OC3CCCC3)CC2)CC1 ZINC000215997947 970059661 /nfs/dbraw/zinc/05/96/61/970059661.db2.gz ZJHPNMYFWLUNMH-UHFFFAOYSA-N 1 3 400.567 3.688 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236848779 970179731 /nfs/dbraw/zinc/17/97/31/970179731.db2.gz NSUWXKXJVRGPFE-FQEVSTJZSA-N 1 3 423.630 3.776 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000236849552 970180614 /nfs/dbraw/zinc/18/06/14/970180614.db2.gz HRQOZLQWYSYMLN-JOCHJYFZSA-N 1 3 417.601 3.714 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000236862976 970182347 /nfs/dbraw/zinc/18/23/47/970182347.db2.gz YSKUVTSFJWPLOP-WMLDXEAASA-N 1 3 414.344 3.584 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000236944962 970192216 /nfs/dbraw/zinc/19/22/16/970192216.db2.gz BXASCEIMKIQETI-UHFFFAOYSA-N 1 3 406.368 3.826 20 0 HHADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144273837 970226854 /nfs/dbraw/zinc/22/68/54/970226854.db2.gz CXLHVEAEIWXZIZ-GOSISDBHSA-N 1 3 414.516 3.511 20 0 HHADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144273837 970226866 /nfs/dbraw/zinc/22/68/66/970226866.db2.gz CXLHVEAEIWXZIZ-GOSISDBHSA-N 1 3 414.516 3.511 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000237172926 970236091 /nfs/dbraw/zinc/23/60/91/970236091.db2.gz ACBFEEGMKZXBHX-UHFFFAOYSA-N 1 3 411.880 3.523 20 0 HHADHO Cc1ccc(O)c(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000237759682 970357497 /nfs/dbraw/zinc/35/74/97/970357497.db2.gz KZEPLTYZTJFYCK-UHFFFAOYSA-N 1 3 422.495 3.806 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000252166282 970554649 /nfs/dbraw/zinc/55/46/49/970554649.db2.gz QMXLEQNZNWBPTF-MQSCRBSSSA-N 1 3 400.611 3.881 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CCCC4)c4c3cccc4F)CC2)CC1 ZINC000409632665 973078812 /nfs/dbraw/zinc/07/88/12/973078812.db2.gz UIGWXTSXADEOSM-UHFFFAOYSA-N 1 3 414.569 3.726 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1 ZINC000410313436 973857537 /nfs/dbraw/zinc/85/75/37/973857537.db2.gz PICBBAUDPYMXGX-RUZDIDTESA-N 1 3 422.617 3.858 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351750 973943092 /nfs/dbraw/zinc/94/30/92/973943092.db2.gz HHSKISXUUMTAAA-OFVILXPXSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351750 973943109 /nfs/dbraw/zinc/94/31/09/973943109.db2.gz HHSKISXUUMTAAA-OFVILXPXSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079316 976363971 /nfs/dbraw/zinc/36/39/71/976363971.db2.gz AGZYRCAIKPQHBB-ZJSXRUAMSA-N 1 3 405.586 3.925 20 0 HHADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429504484 976759892 /nfs/dbraw/zinc/75/98/92/976759892.db2.gz QJWVYEPEAIHUHE-HSZRJFAPSA-N 1 3 414.638 3.975 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000435060276 980604651 /nfs/dbraw/zinc/60/46/51/980604651.db2.gz SJSNFDHJGZCDJO-UHFFFAOYSA-N 1 3 407.606 3.741 20 0 HHADHO Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435286731 980760364 /nfs/dbraw/zinc/76/03/64/980760364.db2.gz DLSMPKLBVFSBIK-HSZRJFAPSA-N 1 3 417.557 3.952 20 0 HHADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000435525108 980919722 /nfs/dbraw/zinc/91/97/22/980919722.db2.gz HWVMTDVBQRFHFG-VXKWHMMOSA-N 1 3 424.593 3.587 20 0 HHADHO CN(c1ccccc1)c1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000437124479 981776768 /nfs/dbraw/zinc/77/67/68/981776768.db2.gz BZSWZOYSLBYDAR-UHFFFAOYSA-N 1 3 407.606 3.699 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947626 982682941 /nfs/dbraw/zinc/68/29/41/982682941.db2.gz SGJPYNOBWDAYGP-VQTJNVASSA-N 1 3 410.389 3.772 20 0 HHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000438482356 982829324 /nfs/dbraw/zinc/82/93/24/982829324.db2.gz YBCVXSSISGOXMZ-QFQXNSOFSA-N 1 3 405.586 3.819 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000461209935 982924171 /nfs/dbraw/zinc/92/41/71/982924171.db2.gz CKFKKXNVYFYDHO-WAABAYLZSA-N 1 3 420.601 3.841 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000461209935 982924176 /nfs/dbraw/zinc/92/41/76/982924176.db2.gz CKFKKXNVYFYDHO-WAABAYLZSA-N 1 3 420.601 3.841 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc2)CC1 ZINC000438711844 983020309 /nfs/dbraw/zinc/02/03/09/983020309.db2.gz OOUQBIHHAQLDIT-UHFFFAOYSA-N 1 3 420.601 3.565 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429652 983092211 /nfs/dbraw/zinc/09/22/11/983092211.db2.gz NWYYNJZKJBZLQK-JWQCQUIFSA-N 1 3 403.570 3.877 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429652 983092214 /nfs/dbraw/zinc/09/22/14/983092214.db2.gz NWYYNJZKJBZLQK-JWQCQUIFSA-N 1 3 403.570 3.877 20 0 HHADHO CC(C)[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970126 983186156 /nfs/dbraw/zinc/18/61/56/983186156.db2.gz UOIQFTMXMNJELS-OFNKIYASSA-N 1 3 415.626 3.663 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194284 983303180 /nfs/dbraw/zinc/30/31/80/983303180.db2.gz VYIVLSIJADEUAK-REHUZNOOSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194284 983303184 /nfs/dbraw/zinc/30/31/84/983303184.db2.gz VYIVLSIJADEUAK-REHUZNOOSA-N 1 3 421.589 3.569 20 0 HHADHO CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000462196323 985178836 /nfs/dbraw/zinc/17/88/36/985178836.db2.gz PLUYGUNKOMSGOO-VWNXMTODSA-N 1 3 412.622 3.804 20 0 HHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000442864753 985250808 /nfs/dbraw/zinc/25/08/08/985250808.db2.gz AMKSELGLIGXTSV-HXUWFJFHSA-N 1 3 421.589 3.590 20 0 HHADHO COc1ccc(C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC000442878673 985255643 /nfs/dbraw/zinc/25/56/43/985255643.db2.gz UITGMPCGRYKAQQ-DEOSSOPVSA-N 1 3 411.590 3.603 20 0 HHADHO CN1CCN(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1(C)C ZINC000442876901 985256035 /nfs/dbraw/zinc/25/60/35/985256035.db2.gz SHZNNJAAOCRVOA-HXUWFJFHSA-N 1 3 424.427 3.532 20 0 HHADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462741460 985683326 /nfs/dbraw/zinc/68/33/26/985683326.db2.gz ULLCVDURJRTWAR-QFIPXVFZSA-N 1 3 412.578 3.655 20 0 HHADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741460 985683330 /nfs/dbraw/zinc/68/33/30/985683330.db2.gz ULLCVDURJRTWAR-QFIPXVFZSA-N 1 3 412.578 3.655 20 0 HHADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468156886 985832029 /nfs/dbraw/zinc/83/20/29/985832029.db2.gz ZXNHSDRJPCORNF-NRFANRHFSA-N 1 3 408.537 3.520 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016651 985972460 /nfs/dbraw/zinc/97/24/60/985972460.db2.gz UWVCITSAZHZCTC-GBXCKJPGSA-N 1 3 406.574 3.602 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133848 986100618 /nfs/dbraw/zinc/10/06/18/986100618.db2.gz WCYHTCRCEPRQHI-PMOQBDJRSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133848 986100623 /nfs/dbraw/zinc/10/06/23/986100623.db2.gz WCYHTCRCEPRQHI-PMOQBDJRSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133848 986100632 /nfs/dbraw/zinc/10/06/32/986100632.db2.gz WCYHTCRCEPRQHI-PMOQBDJRSA-N 1 3 411.590 3.949 20 0 HHADHO CC1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000444183160 986361689 /nfs/dbraw/zinc/36/16/89/986361689.db2.gz NDWLBGNZCOHRQQ-UHFFFAOYSA-N 1 3 421.585 3.884 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696020 986871857 /nfs/dbraw/zinc/87/18/57/986871857.db2.gz NMQHMCWSFBRUET-QFIPXVFZSA-N 1 3 410.606 3.701 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696020 986871864 /nfs/dbraw/zinc/87/18/64/986871864.db2.gz NMQHMCWSFBRUET-QFIPXVFZSA-N 1 3 410.606 3.701 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Oc4ccccn4)cc3)CC2)CC1 ZINC000444862912 987019796 /nfs/dbraw/zinc/01/97/96/987019796.db2.gz DLQIKYVPEJYLPU-UHFFFAOYSA-N 1 3 409.534 3.554 20 0 HHADHO CC(C)Oc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000445056444 987182197 /nfs/dbraw/zinc/18/21/97/987182197.db2.gz RSNKYYTUNFBWNX-UHFFFAOYSA-N 1 3 408.974 3.807 20 0 HHADHO CCOCc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469761140 987414054 /nfs/dbraw/zinc/41/40/54/987414054.db2.gz RBOVQGBYVYLCSK-ACWUQQCTSA-N 1 3 423.601 3.586 20 0 HHADHO CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469770173 987422034 /nfs/dbraw/zinc/42/20/34/987422034.db2.gz TTWGMGIJKNYZEA-PMACEKPBSA-N 1 3 411.565 3.920 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000469785841 987431335 /nfs/dbraw/zinc/43/13/35/987431335.db2.gz FUYZYAXSDSUDNM-JIPZTSHUSA-N 1 3 405.995 3.764 20 0 HHADHO CCCOc1ccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000469786829 987431909 /nfs/dbraw/zinc/43/19/09/987431909.db2.gz LOPBORDJXJPTCC-NHCUHLMSSA-N 1 3 423.601 3.838 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518977 988517412 /nfs/dbraw/zinc/51/74/12/988517412.db2.gz BKISCGVRXYNVRL-QFIPXVFZSA-N 1 3 420.601 3.565 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC000470518977 988517419 /nfs/dbraw/zinc/51/74/19/988517419.db2.gz BKISCGVRXYNVRL-QFIPXVFZSA-N 1 3 420.601 3.565 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747940 988788289 /nfs/dbraw/zinc/78/82/89/988788289.db2.gz UKQXWDFRKSKVLV-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747940 988788297 /nfs/dbraw/zinc/78/82/97/988788297.db2.gz UKQXWDFRKSKVLV-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000465419434 989764647 /nfs/dbraw/zinc/76/46/47/989764647.db2.gz FUFMKLCQWSDIFG-DQEYMECFSA-N 1 3 422.617 3.713 20 0 HHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000465419434 989764654 /nfs/dbraw/zinc/76/46/54/989764654.db2.gz FUFMKLCQWSDIFG-DQEYMECFSA-N 1 3 422.617 3.713 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000465437833 989783580 /nfs/dbraw/zinc/78/35/80/989783580.db2.gz HNAATCGNIXEMLS-ILBGXUMGSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000465437833 989783585 /nfs/dbraw/zinc/78/35/85/989783585.db2.gz HNAATCGNIXEMLS-ILBGXUMGSA-N 1 3 420.601 3.987 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601325 989804588 /nfs/dbraw/zinc/80/45/88/989804588.db2.gz ILCSXOJUXBVGFF-RBBKRZOGSA-N 1 3 414.619 3.952 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601325 989804601 /nfs/dbraw/zinc/80/46/01/989804601.db2.gz ILCSXOJUXBVGFF-RBBKRZOGSA-N 1 3 414.619 3.952 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471601968 989805936 /nfs/dbraw/zinc/80/59/36/989805936.db2.gz AFZACWWKHCJZST-IPJUCJBFSA-N 1 3 418.548 3.746 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471601968 989805953 /nfs/dbraw/zinc/80/59/53/989805953.db2.gz AFZACWWKHCJZST-IPJUCJBFSA-N 1 3 418.548 3.746 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)c2)CC1 ZINC000471623283 989829848 /nfs/dbraw/zinc/82/98/48/989829848.db2.gz ZNSNFFOQMJBIAM-UHFFFAOYSA-N 1 3 406.530 3.889 20 0 HHADHO CC(C)(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000471681854 989885396 /nfs/dbraw/zinc/88/53/96/989885396.db2.gz AXGHWSULWVVAEZ-JOCHJYFZSA-N 1 3 420.601 3.645 20 0 HHADHO CC(C)(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000471681854 989885403 /nfs/dbraw/zinc/88/54/03/989885403.db2.gz AXGHWSULWVVAEZ-JOCHJYFZSA-N 1 3 420.601 3.645 20 0 HHADHO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465804934 990187035 /nfs/dbraw/zinc/18/70/35/990187035.db2.gz BMZVLRYCNUMYPY-QHCPKHFHSA-N 1 3 418.601 3.593 20 0 HHADHO C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883456 991005491 /nfs/dbraw/zinc/00/54/91/991005491.db2.gz ZUNVIWXRDUZWCS-FCHUYYIVSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H](CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883456 991005497 /nfs/dbraw/zinc/00/54/97/991005497.db2.gz ZUNVIWXRDUZWCS-FCHUYYIVSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000466228577 991450606 /nfs/dbraw/zinc/45/06/06/991450606.db2.gz WFAJGKJZHKDHBG-RDPSFJRHSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532437 991832859 /nfs/dbraw/zinc/83/28/59/991832859.db2.gz ITWDBXIRVCAVIE-ZODMCCGTSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532437 991832873 /nfs/dbraw/zinc/83/28/73/991832873.db2.gz ITWDBXIRVCAVIE-ZODMCCGTSA-N 1 3 420.601 3.813 20 0 HHADHO CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472291955 993307352 /nfs/dbraw/zinc/30/73/52/993307352.db2.gz ALZQSSXIVSPJRX-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472291955 993307362 /nfs/dbraw/zinc/30/73/62/993307362.db2.gz ALZQSSXIVSPJRX-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293787 993308760 /nfs/dbraw/zinc/30/87/60/993308760.db2.gz CAVPKTCPKAVZNP-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293787 993308766 /nfs/dbraw/zinc/30/87/66/993308766.db2.gz CAVPKTCPKAVZNP-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO CN1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000472306118 993318348 /nfs/dbraw/zinc/31/83/48/993318348.db2.gz PJDRTUGOZDQTCH-DHIUTWEWSA-N 1 3 424.614 3.845 20 0 HHADHO CCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472387004 993382627 /nfs/dbraw/zinc/38/26/27/993382627.db2.gz XKWFYEAFDDNVSO-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000472387004 993382630 /nfs/dbraw/zinc/38/26/30/993382630.db2.gz XKWFYEAFDDNVSO-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000480714896 993584315 /nfs/dbraw/zinc/58/43/15/993584315.db2.gz NSSCIPQNQBDOHU-QFIPXVFZSA-N 1 3 422.617 3.512 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4cc(Br)ccc43)cc2)CC1 ZINC000480895940 993754395 /nfs/dbraw/zinc/75/43/95/993754395.db2.gz HYVFZGGDXZRELF-JOCHJYFZSA-N 1 3 414.391 3.974 20 0 HHADHO CCS[C@@H]1CCCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000480954588 993795144 /nfs/dbraw/zinc/79/51/44/993795144.db2.gz HGNITLOJGFTNMH-JOCHJYFZSA-N 1 3 403.636 3.683 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189286 994021184 /nfs/dbraw/zinc/02/11/84/994021184.db2.gz MAXVRWZFSWIUGJ-OXQOHEQNSA-N 1 3 403.473 3.727 20 0 HHADHO Cc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331581 994151579 /nfs/dbraw/zinc/15/15/79/994151579.db2.gz HLXYNLQBXWXWCZ-RBUKOAKNSA-N 1 3 403.592 3.637 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298462 994154194 /nfs/dbraw/zinc/15/41/94/994154194.db2.gz CDQWMCMVNQZJTJ-XZOQPEGZSA-N 1 3 409.549 3.676 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298462 994154199 /nfs/dbraw/zinc/15/41/99/994154199.db2.gz CDQWMCMVNQZJTJ-XZOQPEGZSA-N 1 3 409.549 3.676 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473558256 994422644 /nfs/dbraw/zinc/42/26/44/994422644.db2.gz ZOZXDLFRIULYLT-UHFFFAOYSA-N 1 3 412.622 3.502 20 0 HHADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423749 /nfs/dbraw/zinc/42/37/49/994423749.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423757 /nfs/dbraw/zinc/42/37/57/994423757.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582721 994423764 /nfs/dbraw/zinc/42/37/64/994423764.db2.gz PGBVNUZSKQKPSO-XLGIIRLISA-N 1 3 407.602 3.908 20 0 HHADHO CCCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000473727946 994623376 /nfs/dbraw/zinc/62/33/76/994623376.db2.gz AKFNTMAOXPDPLH-UHFFFAOYSA-N 1 3 407.986 3.807 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000473835302 994768851 /nfs/dbraw/zinc/76/88/51/994768851.db2.gz JZEOZHJNRCTYRM-XMMPIXPASA-N 1 3 421.589 3.615 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC000473835302 994768863 /nfs/dbraw/zinc/76/88/63/994768863.db2.gz JZEOZHJNRCTYRM-XMMPIXPASA-N 1 3 421.589 3.615 20 0 HHADHO CC1CCN([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000473975041 994958881 /nfs/dbraw/zinc/95/88/81/994958881.db2.gz FDPJUNUFNKLKAJ-MHJFOBGBSA-N 1 3 404.624 3.837 20 0 HHADHO C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121218 995069257 /nfs/dbraw/zinc/06/92/57/995069257.db2.gz QOUXTZURKLHICX-HYBUGGRVSA-N 1 3 409.574 3.511 20 0 HHADHO C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121213 995069485 /nfs/dbraw/zinc/06/94/85/995069485.db2.gz QOUXTZURKLHICX-GBXCKJPGSA-N 1 3 409.574 3.511 20 0 HHADHO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474331758 995313511 /nfs/dbraw/zinc/31/35/11/995313511.db2.gz REIHRDRIJQAPGK-XMMPIXPASA-N 1 3 406.574 3.567 20 0 HHADHO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000474465937 995428258 /nfs/dbraw/zinc/42/82/58/995428258.db2.gz BAKSSMOTSMQNNH-UXHICEINSA-N 1 3 411.590 3.733 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643708 995638506 /nfs/dbraw/zinc/63/85/06/995638506.db2.gz QGWQQJPTZHOXKV-VWQFJMCTSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643708 995638515 /nfs/dbraw/zinc/63/85/15/995638515.db2.gz QGWQQJPTZHOXKV-VWQFJMCTSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815307 995768664 /nfs/dbraw/zinc/76/86/64/995768664.db2.gz NDFIUNBJVZVHMZ-OXQOHEQNSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815307 995768670 /nfs/dbraw/zinc/76/86/70/995768670.db2.gz NDFIUNBJVZVHMZ-OXQOHEQNSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000483120595 995988026 /nfs/dbraw/zinc/98/80/26/995988026.db2.gz OULUTYSIZIYEOD-SFHVURJKSA-N 1 3 405.583 3.595 20 0 HHADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC000475297069 996052758 /nfs/dbraw/zinc/05/27/58/996052758.db2.gz KNSOFWCRNWBWEQ-VWLOTQADSA-N 1 3 420.601 3.564 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000475313147 996063121 /nfs/dbraw/zinc/06/31/21/996063121.db2.gz CJOZMYMVNBHOFK-IBGZPJMESA-N 1 3 421.589 3.667 20 0 HHADHO Cc1nc(COc2ccc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)cc2)no1 ZINC000475346336 996081280 /nfs/dbraw/zinc/08/12/80/996081280.db2.gz NJXPVOGIPADGJV-SZPZYZBQSA-N 1 3 404.514 3.521 20 0 HHADHO Cc1nc(COc2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)cc2)no1 ZINC000475346336 996081285 /nfs/dbraw/zinc/08/12/85/996081285.db2.gz NJXPVOGIPADGJV-SZPZYZBQSA-N 1 3 404.514 3.521 20 0 HHADHO CC(C)OCCN1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000475639633 996269589 /nfs/dbraw/zinc/26/95/89/996269589.db2.gz CEEKMGFIQRTGPD-UHFFFAOYSA-N 1 3 416.610 3.726 20 0 HHADHO COc1ccc(COC[C@@H](O)CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727864 996327301 /nfs/dbraw/zinc/32/73/01/996327301.db2.gz IIPOAZWBCIIKJS-AZGAKELHSA-N 1 3 424.585 3.561 20 0 HHADHO COc1ccc(COC[C@@H](O)CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727864 996327308 /nfs/dbraw/zinc/32/73/08/996327308.db2.gz IIPOAZWBCIIKJS-AZGAKELHSA-N 1 3 424.585 3.561 20 0 HHADHO O=C(CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736442 996334988 /nfs/dbraw/zinc/33/49/88/996334988.db2.gz HXRILRJWTNZTCP-VWLOTQADSA-N 1 3 421.541 3.732 20 0 HHADHO O=C(CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736442 996334994 /nfs/dbraw/zinc/33/49/94/996334994.db2.gz HXRILRJWTNZTCP-VWLOTQADSA-N 1 3 421.541 3.732 20 0 HHADHO C[C@H](CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccccc1 ZINC000483715692 996345716 /nfs/dbraw/zinc/34/57/16/996345716.db2.gz XEHOIYSNSPEOQN-WOJBJXKFSA-N 1 3 415.603 3.788 20 0 HHADHO C[C@@H](CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccccc1 ZINC000483715687 996345937 /nfs/dbraw/zinc/34/59/37/996345937.db2.gz XEHOIYSNSPEOQN-PMACEKPBSA-N 1 3 415.603 3.788 20 0 HHADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000484182045 996621321 /nfs/dbraw/zinc/62/13/21/996621321.db2.gz WPIDAQOZQFYVNU-ZDUSSCGKSA-N 1 3 424.408 3.988 20 0 HHADHO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000484182761 996621954 /nfs/dbraw/zinc/62/19/54/996621954.db2.gz YLGYZWQTUZODMH-ZDUSSCGKSA-N 1 3 424.408 3.988 20 0 HHADHO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493278 996817494 /nfs/dbraw/zinc/81/74/94/996817494.db2.gz BWOSRWMOIDNUNL-FHWLQOOXSA-N 1 3 415.603 3.865 20 0 HHADHO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000476722457 997269384 /nfs/dbraw/zinc/26/93/84/997269384.db2.gz AFFJSSYEXLIRFB-IPMKNSEASA-N 1 3 411.512 3.628 20 0 HHADHO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000476722457 997269394 /nfs/dbraw/zinc/26/93/94/997269394.db2.gz AFFJSSYEXLIRFB-IPMKNSEASA-N 1 3 411.512 3.628 20 0 HHADHO CN(C)C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000476874883 997452417 /nfs/dbraw/zinc/45/24/17/997452417.db2.gz SVLOBYOHKXDHRO-QHCPKHFHSA-N 1 3 412.553 3.914 20 0 HHADHO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485097705 997473725 /nfs/dbraw/zinc/47/37/25/997473725.db2.gz YVOLXTWAQXKDAS-NHCUHLMSSA-N 1 3 401.595 3.843 20 0 HHADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060775 999051012 /nfs/dbraw/zinc/05/10/12/999051012.db2.gz BPSLTCYYWJMEIJ-AWRGLXIESA-N 1 3 408.590 3.717 20 0 HHADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060775 999051014 /nfs/dbraw/zinc/05/10/14/999051014.db2.gz BPSLTCYYWJMEIJ-AWRGLXIESA-N 1 3 408.590 3.717 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274472 999120973 /nfs/dbraw/zinc/12/09/73/999120973.db2.gz USNBFNCYDTUNQS-RBUKOAKNSA-N 1 3 408.468 3.563 20 0 HHADHO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000478791386 999142629 /nfs/dbraw/zinc/14/26/29/999142629.db2.gz DJGSAJDEQWJWAT-REWPJTCUSA-N 1 3 424.589 3.604 20 0 HHADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830374 999164242 /nfs/dbraw/zinc/16/42/42/999164242.db2.gz KHKKYOGSWAONNX-KNQAVFIVSA-N 1 3 412.578 3.715 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478534 999434859 /nfs/dbraw/zinc/43/48/59/999434859.db2.gz NKIZRSBLBKBERQ-ACAXCVFMSA-N 1 3 405.549 3.518 20 0 HHADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249962 999730255 /nfs/dbraw/zinc/73/02/55/999730255.db2.gz PGJNHADIFJPMGQ-XLIONFOSSA-N 1 3 418.607 3.982 20 0 HHADHO CC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000480165064 999734741 /nfs/dbraw/zinc/73/47/41/999734741.db2.gz HPHXKPQMDANXJK-QHCPKHFHSA-N 1 3 409.574 3.990 20 0 HHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489337606 999748418 /nfs/dbraw/zinc/74/84/18/999748418.db2.gz LZMSMXWIMZXRDI-FQEVSTJZSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489337606 999748422 /nfs/dbraw/zinc/74/84/22/999748422.db2.gz LZMSMXWIMZXRDI-FQEVSTJZSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489337610 999748475 /nfs/dbraw/zinc/74/84/75/999748475.db2.gz LZMSMXWIMZXRDI-HXUWFJFHSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489337610 999748479 /nfs/dbraw/zinc/74/84/79/999748479.db2.gz LZMSMXWIMZXRDI-HXUWFJFHSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441932 999768184 /nfs/dbraw/zinc/76/81/84/999768184.db2.gz UHHNSNJAHWYPCW-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441932 999768188 /nfs/dbraw/zinc/76/81/88/999768188.db2.gz UHHNSNJAHWYPCW-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387203 999786654 /nfs/dbraw/zinc/78/66/54/999786654.db2.gz DOUWMPFSYKPRKP-ALNDXVPUSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387203 999786659 /nfs/dbraw/zinc/78/66/59/999786659.db2.gz DOUWMPFSYKPRKP-ALNDXVPUSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394510 999788282 /nfs/dbraw/zinc/78/82/82/999788282.db2.gz OMXIUQIQTCPVEF-BKKFENPESA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394510 999788286 /nfs/dbraw/zinc/78/82/86/999788286.db2.gz OMXIUQIQTCPVEF-BKKFENPESA-N 1 3 408.586 3.878 20 0 HHADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616795 999803642 /nfs/dbraw/zinc/80/36/42/999803642.db2.gz ARDKUXQWLKECMB-ZFGGDYGUSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616795 999803646 /nfs/dbraw/zinc/80/36/46/999803646.db2.gz ARDKUXQWLKECMB-ZFGGDYGUSA-N 1 3 408.590 3.717 20 0 HHADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489636286 999807414 /nfs/dbraw/zinc/80/74/14/999807414.db2.gz SPBHRRAWKLCTDL-QFIPXVFZSA-N 1 3 407.602 3.886 20 0 HHADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489636286 999807415 /nfs/dbraw/zinc/80/74/15/999807415.db2.gz SPBHRRAWKLCTDL-QFIPXVFZSA-N 1 3 407.602 3.886 20 0 HHADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490952140 1000026568 /nfs/dbraw/zinc/02/65/68/1000026568.db2.gz QHGVYVZBISOJKS-RBUKOAKNSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490952140 1000026570 /nfs/dbraw/zinc/02/65/70/1000026570.db2.gz QHGVYVZBISOJKS-RBUKOAKNSA-N 1 3 404.624 3.520 20 0 HHADHO C[NH+]1CCC(CN[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491062448 1000041311 /nfs/dbraw/zinc/04/13/11/1000041311.db2.gz WGMNRCNBILLZDG-OAQYLSRUSA-N 1 3 406.979 3.764 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000493011899 1000154220 /nfs/dbraw/zinc/15/42/20/1000154220.db2.gz WNAZZQJSFHJEFA-HSZRJFAPSA-N 1 3 419.972 3.548 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504924405 1000451359 /nfs/dbraw/zinc/45/13/59/1000451359.db2.gz MIMZXKWEZGVUQQ-XMMPIXPASA-N 1 3 408.590 3.992 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)cc2)CC1 ZINC000505135141 1000569073 /nfs/dbraw/zinc/56/90/73/1000569073.db2.gz RLIQAYPWCNODLP-UHFFFAOYSA-N 1 3 412.622 3.601 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Br)cs1 ZINC000494617832 1000576394 /nfs/dbraw/zinc/57/63/94/1000576394.db2.gz CDMMISQSHYUOPG-CYBMUJFWSA-N 1 3 410.381 3.653 20 0 HHADHO O=C(CNC1(c2ccc(C(F)(F)F)cc2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000505464647 1000792264 /nfs/dbraw/zinc/79/22/64/1000792264.db2.gz MOYOUVRVEZSNBV-UHFFFAOYSA-N 1 3 409.496 3.807 20 0 HHADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000495434208 1001011445 /nfs/dbraw/zinc/01/14/45/1001011445.db2.gz QRNOZASETIEKPM-WFXMLNOXSA-N 1 3 401.576 3.619 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2cccs2)nc1C ZINC000505785416 1001022646 /nfs/dbraw/zinc/02/26/46/1001022646.db2.gz UMRBKKHITKLUCN-INIZCTEOSA-N 1 3 406.621 3.668 20 0 HHADHO C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000496249185 1001147272 /nfs/dbraw/zinc/14/72/72/1001147272.db2.gz YUVUGWHYYRTWFI-GBXCKJPGSA-N 1 3 424.589 3.652 20 0 HHADHO Fc1ccc(-c2nc(CN3CCC(CCC[NH+]4CCOCC4)CC3)co2)cc1F ZINC000506051344 1001192251 /nfs/dbraw/zinc/19/22/51/1001192251.db2.gz JQJOCSUWGYKOED-UHFFFAOYSA-N 1 3 405.489 3.944 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562297 1001436474 /nfs/dbraw/zinc/43/64/74/1001436474.db2.gz YFPGZAASGRKQJZ-OAQYLSRUSA-N 1 3 412.622 3.947 20 0 HHADHO CS[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1N(C)C ZINC000497656993 1001474735 /nfs/dbraw/zinc/47/47/35/1001474735.db2.gz KLSXOLUGDMSCJK-RTWAWAEBSA-N 1 3 404.624 3.960 20 0 HHADHO CS[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1N(C)C ZINC000497656993 1001474740 /nfs/dbraw/zinc/47/47/40/1001474740.db2.gz KLSXOLUGDMSCJK-RTWAWAEBSA-N 1 3 404.624 3.960 20 0 HHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662076 1001476532 /nfs/dbraw/zinc/47/65/32/1001476532.db2.gz YQUCHKBDAGNRRY-ZLNRFVROSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662076 1001476537 /nfs/dbraw/zinc/47/65/37/1001476537.db2.gz YQUCHKBDAGNRRY-ZLNRFVROSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662075 1001476631 /nfs/dbraw/zinc/47/66/31/1001476631.db2.gz YQUCHKBDAGNRRY-YTFSRNRJSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662075 1001476635 /nfs/dbraw/zinc/47/66/35/1001476635.db2.gz YQUCHKBDAGNRRY-YTFSRNRJSA-N 1 3 412.622 3.585 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022096 1001608991 /nfs/dbraw/zinc/60/89/91/1001608991.db2.gz CVAUQBPTLKHQJK-HFSMHLIXSA-N 1 3 418.582 3.872 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022096 1001608997 /nfs/dbraw/zinc/60/89/97/1001608997.db2.gz CVAUQBPTLKHQJK-HFSMHLIXSA-N 1 3 418.582 3.872 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706348 1002090363 /nfs/dbraw/zinc/09/03/63/1002090363.db2.gz FYAOSHLRGVIBLD-UNMCSNQZSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706348 1002090371 /nfs/dbraw/zinc/09/03/71/1002090371.db2.gz FYAOSHLRGVIBLD-UNMCSNQZSA-N 1 3 424.589 3.796 20 0 HHADHO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000498795051 1002180590 /nfs/dbraw/zinc/18/05/90/1002180590.db2.gz AZJPLFSKKPUGJR-QGDZQMKYSA-N 1 3 417.597 3.977 20 0 HHADHO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000498795051 1002180598 /nfs/dbraw/zinc/18/05/98/1002180598.db2.gz AZJPLFSKKPUGJR-QGDZQMKYSA-N 1 3 417.597 3.977 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893777 1002283001 /nfs/dbraw/zinc/28/30/01/1002283001.db2.gz JYEFFJSOMZDNSU-KWOQKUFVSA-N 1 3 424.589 3.650 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893777 1002283005 /nfs/dbraw/zinc/28/30/05/1002283005.db2.gz JYEFFJSOMZDNSU-KWOQKUFVSA-N 1 3 424.589 3.650 20 0 HHADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCSc2ccccc2F)CC1 ZINC000507915799 1002449895 /nfs/dbraw/zinc/44/98/95/1002449895.db2.gz WCSSPRRBPGHGHZ-UHFFFAOYSA-N 1 3 407.599 3.622 20 0 HHADHO Fc1ccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153066 1002536882 /nfs/dbraw/zinc/53/68/82/1002536882.db2.gz QQFWESJJDOQJAU-SSUZURRFSA-N 1 3 423.576 3.984 20 0 HHADHO c1ccc(CN2CCO[C@H](CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155019 1002538866 /nfs/dbraw/zinc/53/88/66/1002538866.db2.gz GGXINKXOSITPMG-XDZVQPMWSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(CN2CCO[C@H](CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155019 1002538871 /nfs/dbraw/zinc/53/88/71/1002538871.db2.gz GGXINKXOSITPMG-XDZVQPMWSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162180 1002548015 /nfs/dbraw/zinc/54/80/15/1002548015.db2.gz AHROVFHJUIEVHO-FXSWLTOZSA-N 1 3 405.586 3.845 20 0 HHADHO C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000499384173 1002775509 /nfs/dbraw/zinc/77/55/09/1002775509.db2.gz NUAVLPAUUFHYBN-NFBKMPQASA-N 1 3 407.643 3.817 20 0 HHADHO Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722064 1003163109 /nfs/dbraw/zinc/16/31/09/1003163109.db2.gz WQANDVKOUVANGP-HRNNMHKYSA-N 1 3 407.602 3.869 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000508906764 1003344499 /nfs/dbraw/zinc/34/44/99/1003344499.db2.gz OHENNLFGMQDVDK-NNXSRULWSA-N 1 3 400.611 3.974 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000508906764 1003344495 /nfs/dbraw/zinc/34/44/95/1003344495.db2.gz OHENNLFGMQDVDK-NNXSRULWSA-N 1 3 400.611 3.974 20 0 HHADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000500103202 1003465196 /nfs/dbraw/zinc/46/51/96/1003465196.db2.gz BBMHKGITGJTMKC-FQEVSTJZSA-N 1 3 401.599 3.515 20 0 HHADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000500103203 1003465404 /nfs/dbraw/zinc/46/54/04/1003465404.db2.gz BBMHKGITGJTMKC-HXUWFJFHSA-N 1 3 401.599 3.515 20 0 HHADHO CC[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N1CCc2ccccc2C1 ZINC000500104578 1003466484 /nfs/dbraw/zinc/46/64/84/1003466484.db2.gz PLWPSLHEPUGWRX-RUZDIDTESA-N 1 3 420.601 3.919 20 0 HHADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000500110242 1003472443 /nfs/dbraw/zinc/47/24/43/1003472443.db2.gz KBMLTHCXWAFDBY-FQEVSTJZSA-N 1 3 401.599 3.515 20 0 HHADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231492 1003641193 /nfs/dbraw/zinc/64/11/93/1003641193.db2.gz HALBOAWOVGVYMS-DBXWQHBBSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231492 1003641204 /nfs/dbraw/zinc/64/12/04/1003641204.db2.gz HALBOAWOVGVYMS-DBXWQHBBSA-N 1 3 411.512 3.678 20 0 HHADHO O=C(N1CCC([NH+]2CCCCC2)CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509338229 1003715456 /nfs/dbraw/zinc/71/54/56/1003715456.db2.gz PRXRBSNXWWJMCR-JOCHJYFZSA-N 1 3 423.523 3.918 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000509370244 1003798043 /nfs/dbraw/zinc/79/80/43/1003798043.db2.gz FUXZFOZWUKEUDT-IRLDBZIGSA-N 1 3 422.598 3.593 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000509370244 1003798056 /nfs/dbraw/zinc/79/80/56/1003798056.db2.gz FUXZFOZWUKEUDT-IRLDBZIGSA-N 1 3 422.598 3.593 20 0 HHADHO Cc1cc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1Br ZINC000512009229 1003950918 /nfs/dbraw/zinc/95/09/18/1003950918.db2.gz SKIJWRIOHUVSIA-KGLIPLIRSA-N 1 3 404.418 3.562 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccccc3OCc3ccncc3)CC2)C[C@H](C)O1 ZINC000512177013 1004079429 /nfs/dbraw/zinc/07/94/29/1004079429.db2.gz BXDWWDDUJCTJKK-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccccc3OCc3ccccn3)CC2)C[C@H](C)O1 ZINC000512188417 1004089887 /nfs/dbraw/zinc/08/98/87/1004089887.db2.gz YIAHCEXIYJFNKK-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512197135 1004098398 /nfs/dbraw/zinc/09/83/98/1004098398.db2.gz SJWRWXFIPBEAGZ-WOJBJXKFSA-N 1 3 410.606 3.869 20 0 HHADHO C[C@@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000501028471 1004132486 /nfs/dbraw/zinc/13/24/86/1004132486.db2.gz YXMMOPVMDJJSFD-QGZVFWFLSA-N 1 3 400.954 3.761 20 0 HHADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247722 1004150386 /nfs/dbraw/zinc/15/03/86/1004150386.db2.gz AEHLCJOOMJCLCV-SFHVURJKSA-N 1 3 407.574 3.625 20 0 HHADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247722 1004150394 /nfs/dbraw/zinc/15/03/94/1004150394.db2.gz AEHLCJOOMJCLCV-SFHVURJKSA-N 1 3 407.574 3.625 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621628 1004435332 /nfs/dbraw/zinc/43/53/32/1004435332.db2.gz ZXMBMPZFAXLRMX-UNWVZKJWSA-N 1 3 411.977 3.960 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621628 1004435335 /nfs/dbraw/zinc/43/53/35/1004435335.db2.gz ZXMBMPZFAXLRMX-UNWVZKJWSA-N 1 3 411.977 3.960 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000501602510 1004545336 /nfs/dbraw/zinc/54/53/36/1004545336.db2.gz NDXJPYNVTFZELL-HSZRJFAPSA-N 1 3 416.610 3.786 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)N2CCCC2)cc1 ZINC000501602510 1004545347 /nfs/dbraw/zinc/54/53/47/1004545347.db2.gz NDXJPYNVTFZELL-HSZRJFAPSA-N 1 3 416.610 3.786 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000512769161 1004548769 /nfs/dbraw/zinc/54/87/69/1004548769.db2.gz POBMPQHDHNEDOR-UHFFFAOYSA-N 1 3 416.997 3.804 20 0 HHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000512901057 1004670388 /nfs/dbraw/zinc/67/03/88/1004670388.db2.gz GWEYHIRMQWSVMK-QFIPXVFZSA-N 1 3 404.599 3.592 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000512907512 1004675756 /nfs/dbraw/zinc/67/57/56/1004675756.db2.gz REUVELIYBGNZTR-QHCPKHFHSA-N 1 3 418.626 3.840 20 0 HHADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000501784235 1004725035 /nfs/dbraw/zinc/72/50/35/1004725035.db2.gz DGVDZVFAWFZZTI-UHFFFAOYSA-N 1 3 415.622 3.883 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000501784235 1004725050 /nfs/dbraw/zinc/72/50/50/1004725050.db2.gz DGVDZVFAWFZZTI-UHFFFAOYSA-N 1 3 415.622 3.883 20 0 HHADHO COC1CC[NH+](C2(CNC(=O)c3oc4ccccc4c3CN(C)C)CCCC2)CC1 ZINC000510848869 1004890312 /nfs/dbraw/zinc/89/03/12/1004890312.db2.gz BXPSGYLAFSFWJO-UHFFFAOYSA-N 1 3 413.562 3.648 20 0 HHADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000510874932 1004905020 /nfs/dbraw/zinc/90/50/20/1004905020.db2.gz RQMZFOHEGIXRLE-PELRDEGISA-N 1 3 422.013 3.856 20 0 HHADHO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000510999731 1004973725 /nfs/dbraw/zinc/97/37/25/1004973725.db2.gz NQGVUDIIEFOPFZ-TWDDROGUSA-N 1 3 404.558 3.793 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232951 1005084279 /nfs/dbraw/zinc/08/42/79/1005084279.db2.gz XBHDZXPFOXXHAW-CEWLAPEOSA-N 1 3 401.570 3.807 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232951 1005084284 /nfs/dbraw/zinc/08/42/84/1005084284.db2.gz XBHDZXPFOXXHAW-CEWLAPEOSA-N 1 3 401.570 3.807 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)N(C)C)cc1 ZINC000502511512 1005097154 /nfs/dbraw/zinc/09/71/54/1005097154.db2.gz TWBRKKYPUAIMBI-VNXZQDSDSA-N 1 3 400.611 3.940 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266314 1005098191 /nfs/dbraw/zinc/09/81/91/1005098191.db2.gz DEQCDJNKJXRVJH-IEBWSBKVSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266314 1005098197 /nfs/dbraw/zinc/09/81/97/1005098197.db2.gz DEQCDJNKJXRVJH-IEBWSBKVSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309474 1005119178 /nfs/dbraw/zinc/11/91/78/1005119178.db2.gz ROGPGFFSLFBEPV-GMAHTHKFSA-N 1 3 414.638 3.845 20 0 HHADHO C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309474 1005119183 /nfs/dbraw/zinc/11/91/83/1005119183.db2.gz ROGPGFFSLFBEPV-GMAHTHKFSA-N 1 3 414.638 3.845 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010174 1005226689 /nfs/dbraw/zinc/22/66/89/1005226689.db2.gz UIPGEXGCRCZARZ-HYBUGGRVSA-N 1 3 406.574 3.917 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000514082451 1005257378 /nfs/dbraw/zinc/25/73/78/1005257378.db2.gz HWSYBXMECFYDPU-RUZDIDTESA-N 1 3 420.601 3.828 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000511643316 1005257736 /nfs/dbraw/zinc/25/77/36/1005257736.db2.gz ZXGDDVSRRYDPKE-UHFFFAOYSA-N 1 3 415.622 3.924 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC000503402255 1005409299 /nfs/dbraw/zinc/40/92/99/1005409299.db2.gz SPYPVHOJTAMQSM-DNQXCXABSA-N 1 3 412.622 3.805 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000503420846 1005415145 /nfs/dbraw/zinc/41/51/45/1005415145.db2.gz MDQIWZFAMWCXDW-XPPIMPSXSA-N 1 3 400.611 3.804 20 0 HHADHO C[C@@H]([NH2+]C1(CNC(=O)N(CCN(C)C)Cc2ccccn2)CCCC1)c1ccccc1 ZINC000503730906 1005486634 /nfs/dbraw/zinc/48/66/34/1005486634.db2.gz SWIDGOLLDLGALN-OAQYLSRUSA-N 1 3 423.605 3.818 20 0 HHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000504429394 1005626704 /nfs/dbraw/zinc/62/67/04/1005626704.db2.gz PFTCHUXEADLOIF-UHFFFAOYSA-N 1 3 423.605 3.587 20 0 HHADHO CC[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Br ZINC000531989898 1006565193 /nfs/dbraw/zinc/56/51/93/1006565193.db2.gz UKEGHXPYGFLAHG-LJQANCHMSA-N 1 3 403.368 3.837 20 0 HHADHO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1Br ZINC000531989898 1006565205 /nfs/dbraw/zinc/56/52/05/1006565205.db2.gz UKEGHXPYGFLAHG-LJQANCHMSA-N 1 3 403.368 3.837 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015410 1006577150 /nfs/dbraw/zinc/57/71/50/1006577150.db2.gz FVOAUDAWAFMPPF-NHCUHLMSSA-N 1 3 416.587 3.803 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(C)cc2N2CCOCC2)CC1 ZINC000532042118 1006595406 /nfs/dbraw/zinc/59/54/06/1006595406.db2.gz UHDPKRJYDNISBU-UHFFFAOYSA-N 1 3 422.617 3.653 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534683485 1006663314 /nfs/dbraw/zinc/66/33/14/1006663314.db2.gz VJOYCUNBAZSISJ-VJTSUQJLSA-N 1 3 420.601 3.985 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534683485 1006663321 /nfs/dbraw/zinc/66/33/21/1006663321.db2.gz VJOYCUNBAZSISJ-VJTSUQJLSA-N 1 3 420.601 3.985 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)N(C)C)cc1 ZINC000515805086 1006685344 /nfs/dbraw/zinc/68/53/44/1006685344.db2.gz JIMWVLCDTLLZRF-HSZRJFAPSA-N 1 3 414.569 3.764 20 0 HHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269719 1006760739 /nfs/dbraw/zinc/76/07/39/1006760739.db2.gz SQQYAWFWZJGONC-WOJBJXKFSA-N 1 3 422.495 3.749 20 0 HHADHO COCC[NH+]1CCC(NCc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000532361399 1006819293 /nfs/dbraw/zinc/81/92/93/1006819293.db2.gz GKBXNNFDJKXOHN-UHFFFAOYSA-N 1 3 400.567 3.514 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)CC2)CC1 ZINC000516264776 1006980635 /nfs/dbraw/zinc/98/06/35/1006980635.db2.gz SEPWMBCGNMZEMF-UHFFFAOYSA-N 1 3 424.511 3.552 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723149 1006998656 /nfs/dbraw/zinc/99/86/56/1006998656.db2.gz LTQFEOQCUGRVQZ-ZJSXRUAMSA-N 1 3 423.649 3.687 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723149 1006998666 /nfs/dbraw/zinc/99/86/66/1006998666.db2.gz LTQFEOQCUGRVQZ-ZJSXRUAMSA-N 1 3 423.649 3.687 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000538734521 1007016621 /nfs/dbraw/zinc/01/66/21/1007016621.db2.gz HSTABCBIAVQCJY-RPBOFIJWSA-N 1 3 405.586 3.750 20 0 HHADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cc(C(F)(F)F)ccc1Br ZINC000516353508 1007036826 /nfs/dbraw/zinc/03/68/26/1007036826.db2.gz XPSXJVSVTKARNW-HNNXBMFYSA-N 1 3 409.290 3.794 20 0 HHADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cc(C(F)(F)F)ccc1Br ZINC000516353508 1007036840 /nfs/dbraw/zinc/03/68/40/1007036840.db2.gz XPSXJVSVTKARNW-HNNXBMFYSA-N 1 3 409.290 3.794 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578133 1007164123 /nfs/dbraw/zinc/16/41/23/1007164123.db2.gz OOIXDRCNWYHVNC-REWPJTCUSA-N 1 3 400.611 3.975 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578133 1007164135 /nfs/dbraw/zinc/16/41/35/1007164135.db2.gz OOIXDRCNWYHVNC-REWPJTCUSA-N 1 3 400.611 3.975 20 0 HHADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000532785499 1007181949 /nfs/dbraw/zinc/18/19/49/1007181949.db2.gz HALFUZFPTSDCRR-UHFFFAOYSA-N 1 3 424.408 3.898 20 0 HHADHO CC(C)[C@H](C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)N(C)C ZINC000538932846 1007216790 /nfs/dbraw/zinc/21/67/90/1007216790.db2.gz WTDZEGPHVYDCKB-XMMPIXPASA-N 1 3 408.590 3.576 20 0 HHADHO COc1cc(OC)cc(OCCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393309 1007698776 /nfs/dbraw/zinc/69/87/76/1007698776.db2.gz UGCNGKGTJCGONF-QFIPXVFZSA-N 1 3 412.530 3.660 20 0 HHADHO COc1cc(OC)cc(OCC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000539393309 1007698780 /nfs/dbraw/zinc/69/87/80/1007698780.db2.gz UGCNGKGTJCGONF-QFIPXVFZSA-N 1 3 412.530 3.660 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542304 1007758225 /nfs/dbraw/zinc/75/82/25/1007758225.db2.gz OVSCAYMHELSDIT-SQJMNOBHSA-N 1 3 420.601 3.828 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)c(C)c2)CC1 ZINC000517727423 1007934195 /nfs/dbraw/zinc/93/41/95/1007934195.db2.gz FUIZZFMDEQQRTG-UHFFFAOYSA-N 1 3 420.601 3.988 20 0 HHADHO COc1ccc2cc([C@H](C)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)ccc2c1 ZINC000539689615 1008008946 /nfs/dbraw/zinc/00/89/46/1008008946.db2.gz ODWWTVMQVBILBI-DFBJGRDBSA-N 1 3 419.569 3.788 20 0 HHADHO Cc1nc(COc2ccc(C[N@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000539829354 1008123429 /nfs/dbraw/zinc/12/34/29/1008123429.db2.gz SZHYTOWQSCQANJ-JOCHJYFZSA-N 1 3 406.530 3.911 20 0 HHADHO Cc1nc(COc2ccc(C[N@@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000539829354 1008123435 /nfs/dbraw/zinc/12/34/35/1008123435.db2.gz SZHYTOWQSCQANJ-JOCHJYFZSA-N 1 3 406.530 3.911 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955807 1008231937 /nfs/dbraw/zinc/23/19/37/1008231937.db2.gz SPJBNXJAAXXMKO-SGNDLWITSA-N 1 3 422.573 3.577 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955807 1008231941 /nfs/dbraw/zinc/23/19/41/1008231941.db2.gz SPJBNXJAAXXMKO-SGNDLWITSA-N 1 3 422.573 3.577 20 0 HHADHO Cc1cccc(NC(=O)NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000540043936 1008253448 /nfs/dbraw/zinc/25/34/48/1008253448.db2.gz MRXROZDJBBBZGF-UHFFFAOYSA-N 1 3 423.561 3.585 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157099 1008314858 /nfs/dbraw/zinc/31/48/58/1008314858.db2.gz VOYZSKVOWOEZMW-POCHDABASA-N 1 3 415.965 3.903 20 0 HHADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160786 1008316235 /nfs/dbraw/zinc/31/62/35/1008316235.db2.gz KYGCSIKEGVXMBJ-YCRPNKLZSA-N 1 3 419.928 3.876 20 0 HHADHO CC[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000540171238 1008321288 /nfs/dbraw/zinc/32/12/88/1008321288.db2.gz PAOBVZXSYRNJME-QFIPXVFZSA-N 1 3 423.557 3.524 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000540176499 1008323556 /nfs/dbraw/zinc/32/35/56/1008323556.db2.gz ROWNZWDKYXEIMV-HXUWFJFHSA-N 1 3 421.463 3.654 20 0 HHADHO COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000540494128 1008454225 /nfs/dbraw/zinc/45/42/25/1008454225.db2.gz QAFLKYLYLNLBDV-CTNGQTDRSA-N 1 3 407.558 3.852 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCC(=O)N1Cc3ccccc3C1)c1ccccc1O2 ZINC000540496154 1008455432 /nfs/dbraw/zinc/45/54/32/1008455432.db2.gz XHADPLYDTDNPQL-HSZRJFAPSA-N 1 3 419.569 3.887 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504663 1008458760 /nfs/dbraw/zinc/45/87/60/1008458760.db2.gz FOBFKBFFYHPYBM-ROUUACIJSA-N 1 3 402.608 3.860 20 0 HHADHO C[C@H]1C[NH+](CCC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504663 1008458765 /nfs/dbraw/zinc/45/87/65/1008458765.db2.gz FOBFKBFFYHPYBM-ROUUACIJSA-N 1 3 402.608 3.860 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507894 1008460502 /nfs/dbraw/zinc/46/05/02/1008460502.db2.gz RHNLRLKVKSOWFJ-FYYLOGMGSA-N 1 3 419.569 3.613 20 0 HHADHO CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950902 1008536639 /nfs/dbraw/zinc/53/66/39/1008536639.db2.gz ZHFDGAMRJFTOOG-DFIYOIEZSA-N 1 3 424.585 3.897 20 0 HHADHO CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950902 1008536643 /nfs/dbraw/zinc/53/66/43/1008536643.db2.gz ZHFDGAMRJFTOOG-DFIYOIEZSA-N 1 3 424.585 3.897 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000545457924 1008569578 /nfs/dbraw/zinc/56/95/78/1008569578.db2.gz KLKYLCWZHJGTTM-MRXNPFEDSA-N 1 3 422.411 3.684 20 0 HHADHO C/C=C\c1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463362 1009050566 /nfs/dbraw/zinc/05/05/66/1009050566.db2.gz KUBWUUJQIOGSQW-KQUUTEEUSA-N 1 3 402.579 3.711 20 0 HHADHO C/C=C\c1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463362 1009050580 /nfs/dbraw/zinc/05/05/80/1009050580.db2.gz KUBWUUJQIOGSQW-KQUUTEEUSA-N 1 3 402.579 3.711 20 0 HHADHO Cc1ccccc1[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000543944954 1009538735 /nfs/dbraw/zinc/53/87/35/1009538735.db2.gz WPBVQOCNWOXTEM-GZGNHOFSSA-N 1 3 401.639 3.842 20 0 HHADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000544357584 1009983781 /nfs/dbraw/zinc/98/37/81/1009983781.db2.gz TXXPDAJCRILJQO-SANMLTNESA-N 1 3 423.601 3.633 20 0 HHADHO C[NH+](C)CC1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC000544405919 1010024848 /nfs/dbraw/zinc/02/48/48/1010024848.db2.gz WGRFPQPFFLKUAX-UHFFFAOYSA-N 1 3 405.178 3.817 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)CC1 ZINC000521315266 1010298968 /nfs/dbraw/zinc/29/89/68/1010298968.db2.gz ZQOVDESDXGEALT-RUZDIDTESA-N 1 3 420.601 3.784 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000547750003 1010411294 /nfs/dbraw/zinc/41/12/94/1010411294.db2.gz JVPRSPSHYDJQCI-UHFFFAOYSA-N 1 3 401.942 3.568 20 0 HHADHO c1nc([C@H]2CCCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448174 1010591681 /nfs/dbraw/zinc/59/16/81/1010591681.db2.gz LSCUJMYIMFWMTR-LADGPHEKSA-N 1 3 408.590 3.690 20 0 HHADHO c1nc([C@H]2CCCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448174 1010591689 /nfs/dbraw/zinc/59/16/89/1010591689.db2.gz LSCUJMYIMFWMTR-LADGPHEKSA-N 1 3 408.590 3.690 20 0 HHADHO c1nc([C@@H]2CCCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448173 1010591757 /nfs/dbraw/zinc/59/17/57/1010591757.db2.gz LSCUJMYIMFWMTR-ISKFKSNPSA-N 1 3 408.590 3.690 20 0 HHADHO c1nc([C@@H]2CCCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448173 1010591768 /nfs/dbraw/zinc/59/17/68/1010591768.db2.gz LSCUJMYIMFWMTR-ISKFKSNPSA-N 1 3 408.590 3.690 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCc3cccc(C[N@H+](C)CC)c3)c(C)c2)CC1 ZINC000522073597 1010793401 /nfs/dbraw/zinc/79/34/01/1010793401.db2.gz RUINMGOIRJNNRR-UHFFFAOYSA-N 1 3 423.605 3.910 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCc3cccc(C[N@@H+](C)CC)c3)c(C)c2)CC1 ZINC000522073597 1010793408 /nfs/dbraw/zinc/79/34/08/1010793408.db2.gz RUINMGOIRJNNRR-UHFFFAOYSA-N 1 3 423.605 3.910 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1Cl ZINC000522756247 1011197647 /nfs/dbraw/zinc/19/76/47/1011197647.db2.gz OTHYJDWWMRQLQA-AWEZNQCLSA-N 1 3 413.393 3.912 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763793 1011202627 /nfs/dbraw/zinc/20/26/27/1011202627.db2.gz SYZMLBPWIBBKJS-IMFGXOCKSA-N 1 3 424.511 3.624 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763793 1011202629 /nfs/dbraw/zinc/20/26/29/1011202629.db2.gz SYZMLBPWIBBKJS-IMFGXOCKSA-N 1 3 424.511 3.624 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829282 1011265595 /nfs/dbraw/zinc/26/55/95/1011265595.db2.gz HGJLRLRKLZNVCW-SQJMNOBHSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829282 1011265611 /nfs/dbraw/zinc/26/56/11/1011265611.db2.gz HGJLRLRKLZNVCW-SQJMNOBHSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830470 1011266038 /nfs/dbraw/zinc/26/60/38/1011266038.db2.gz WPUAUFSFDLGKCP-OFVILXPXSA-N 1 3 420.601 3.984 20 0 HHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830470 1011266053 /nfs/dbraw/zinc/26/60/53/1011266053.db2.gz WPUAUFSFDLGKCP-OFVILXPXSA-N 1 3 420.601 3.984 20 0 HHADHO CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000523134272 1011603386 /nfs/dbraw/zinc/60/33/86/1011603386.db2.gz WQUXBZLCXLTWNG-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991772 1011625557 /nfs/dbraw/zinc/62/55/57/1011625557.db2.gz KMKKEUCSBJFLKA-RXVVDRJESA-N 1 3 406.448 3.929 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991772 1011625558 /nfs/dbraw/zinc/62/55/58/1011625558.db2.gz KMKKEUCSBJFLKA-RXVVDRJESA-N 1 3 406.448 3.929 20 0 HHADHO CCOc1ccc(CN(C)C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000536707676 1011877646 /nfs/dbraw/zinc/87/76/46/1011877646.db2.gz JUBIHOYEBXVMKL-UHFFFAOYSA-N 1 3 424.589 3.677 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1cccc(Cl)c1 ZINC000536724362 1011896349 /nfs/dbraw/zinc/89/63/49/1011896349.db2.gz HWZGBYKKSZXLJB-UHFFFAOYSA-N 1 3 400.954 3.590 20 0 HHADHO Cc1ccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445357 1011940597 /nfs/dbraw/zinc/94/05/97/1011940597.db2.gz GXWPMZSHZPIYDH-TZIWHRDSSA-N 1 3 410.562 3.892 20 0 HHADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000551790067 1011948828 /nfs/dbraw/zinc/94/88/28/1011948828.db2.gz VLDQSDZTAGICFS-QTLGCAHFSA-N 1 3 421.585 3.803 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839723 1012069942 /nfs/dbraw/zinc/06/99/42/1012069942.db2.gz OGNDYRZBONWNCD-YTJPUZGESA-N 1 3 415.965 3.903 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839715 1012070289 /nfs/dbraw/zinc/07/02/89/1012070289.db2.gz OGNDYRZBONWNCD-POCHDABASA-N 1 3 415.965 3.903 20 0 HHADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000552057387 1012074764 /nfs/dbraw/zinc/07/47/64/1012074764.db2.gz RQCAQRCPTFALRR-OEMFJLHTSA-N 1 3 405.590 3.726 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000536860472 1012094452 /nfs/dbraw/zinc/09/44/52/1012094452.db2.gz ZYMHUYPLOAPBAH-KRWDZBQOSA-N 1 3 417.500 3.964 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)cc1 ZINC000536864945 1012101276 /nfs/dbraw/zinc/10/12/76/1012101276.db2.gz UZFCWUXAQYVPTL-LJQANCHMSA-N 1 3 403.979 3.958 20 0 HHADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)s1 ZINC000552090929 1012106116 /nfs/dbraw/zinc/10/61/16/1012106116.db2.gz XMFHTJDRJRDGMJ-DFGXFYAUSA-N 1 3 407.628 3.696 20 0 HHADHO C[C@H]1C[C@H]1c1ccc(CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278084 1012290804 /nfs/dbraw/zinc/29/08/04/1012290804.db2.gz TURMUWLKRLXYCI-WMZHIEFXSA-N 1 3 409.574 3.863 20 0 HHADHO C[C@H]1C[C@H]1c1ccc(CN2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278084 1012290825 /nfs/dbraw/zinc/29/08/25/1012290825.db2.gz TURMUWLKRLXYCI-WMZHIEFXSA-N 1 3 409.574 3.863 20 0 HHADHO C[C@@H]1C[C@H]1c1ccc(CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278077 1012291278 /nfs/dbraw/zinc/29/12/78/1012291278.db2.gz TURMUWLKRLXYCI-AUSIDOKSSA-N 1 3 409.574 3.863 20 0 HHADHO C[C@@H]1C[C@H]1c1ccc(CN2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278077 1012291298 /nfs/dbraw/zinc/29/12/98/1012291298.db2.gz TURMUWLKRLXYCI-AUSIDOKSSA-N 1 3 409.574 3.863 20 0 HHADHO C[N@H+](CCOc1cccc(CN[C@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542325 1012327240 /nfs/dbraw/zinc/32/72/40/1012327240.db2.gz RJOXAOXUCCPUQQ-QHCPKHFHSA-N 1 3 423.557 3.739 20 0 HHADHO C[N@@H+](CCOc1cccc(CN[C@H]2CCC(=O)Nc3ccccc32)c1)C1CCOCC1 ZINC000541542325 1012327262 /nfs/dbraw/zinc/32/72/62/1012327262.db2.gz RJOXAOXUCCPUQQ-QHCPKHFHSA-N 1 3 423.557 3.739 20 0 HHADHO Brc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000552332472 1012340596 /nfs/dbraw/zinc/34/05/96/1012340596.db2.gz SYUMKGLYQHJMPI-YZGWKJHDSA-N 1 3 403.368 3.536 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523832691 1012519468 /nfs/dbraw/zinc/51/94/68/1012519468.db2.gz IAJZQBDTLXXEIE-OFNKIYASSA-N 1 3 406.574 3.635 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000537169131 1012572802 /nfs/dbraw/zinc/57/28/02/1012572802.db2.gz KWCPYMXQUUVFSK-UHFFFAOYSA-N 1 3 403.876 3.647 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000541915100 1012773154 /nfs/dbraw/zinc/77/31/54/1012773154.db2.gz XWFBRGLJNOWAJK-WZONZLPQSA-N 1 3 410.562 3.634 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000541915100 1012773169 /nfs/dbraw/zinc/77/31/69/1012773169.db2.gz XWFBRGLJNOWAJK-WZONZLPQSA-N 1 3 410.562 3.634 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000541915097 1012773418 /nfs/dbraw/zinc/77/34/18/1012773418.db2.gz XWFBRGLJNOWAJK-FDDCHVKYSA-N 1 3 410.562 3.634 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000541915097 1012773437 /nfs/dbraw/zinc/77/34/37/1012773437.db2.gz XWFBRGLJNOWAJK-FDDCHVKYSA-N 1 3 410.562 3.634 20 0 HHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168378752 1072646972 /nfs/dbraw/zinc/64/69/72/1072646972.db2.gz STTVNJJRQPPFNP-AREMUKBSSA-N 1 3 418.585 3.800 20 0 HHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168378752 1072646973 /nfs/dbraw/zinc/64/69/73/1072646973.db2.gz STTVNJJRQPPFNP-AREMUKBSSA-N 1 3 418.585 3.800 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060554 1073535017 /nfs/dbraw/zinc/53/50/17/1073535017.db2.gz NHALWWDFCFPLRQ-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060554 1073535026 /nfs/dbraw/zinc/53/50/26/1073535026.db2.gz NHALWWDFCFPLRQ-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@H](C)O1 ZINC000590060554 1073535032 /nfs/dbraw/zinc/53/50/32/1073535032.db2.gz NHALWWDFCFPLRQ-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786373 1074003363 /nfs/dbraw/zinc/00/33/63/1074003363.db2.gz UJWJZRXHKKYLQW-SFHVURJKSA-N 1 3 410.002 3.618 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786373 1074003372 /nfs/dbraw/zinc/00/33/72/1074003372.db2.gz UJWJZRXHKKYLQW-SFHVURJKSA-N 1 3 410.002 3.618 20 0 HHADHO CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470515 1075250732 /nfs/dbraw/zinc/25/07/32/1075250732.db2.gz RWCBJLKCQRWNOJ-QZTJIDSGSA-N 1 3 404.576 3.832 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594248964 1075271304 /nfs/dbraw/zinc/27/13/04/1075271304.db2.gz BFWKBEUBUGGCGB-QFIPXVFZSA-N 1 3 416.635 3.760 20 0 HHADHO C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)Cc1ccccc1 ZINC000601338777 1075605780 /nfs/dbraw/zinc/60/57/80/1075605780.db2.gz LJVOQMIHLMFGGY-NRFANRHFSA-N 1 3 400.611 3.805 20 0 HHADHO CSc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000542136902 1013070086 /nfs/dbraw/zinc/07/00/86/1013070086.db2.gz QFJOITGZYZAQLS-IBGZPJMESA-N 1 3 411.615 3.955 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303198627 971555357 /nfs/dbraw/zinc/55/53/57/971555357.db2.gz NUMJPOOFOLIVNY-MSOLQXFVSA-N 1 3 410.389 3.772 20 0 HHADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177615 1013137360 /nfs/dbraw/zinc/13/73/60/1013137360.db2.gz JHKSBPXZBXWFCZ-QRVBRYPASA-N 1 3 411.512 3.849 20 0 HHADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@H](C(F)(F)F)C1 ZINC000553177615 1013137366 /nfs/dbraw/zinc/13/73/66/1013137366.db2.gz JHKSBPXZBXWFCZ-QRVBRYPASA-N 1 3 411.512 3.849 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000537621861 1013167017 /nfs/dbraw/zinc/16/70/17/1013167017.db2.gz GPCDMCTXVDAXAQ-CJFMBICVSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000537621861 1013167029 /nfs/dbraw/zinc/16/70/29/1013167029.db2.gz GPCDMCTXVDAXAQ-CJFMBICVSA-N 1 3 411.565 3.863 20 0 HHADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621824 1013167119 /nfs/dbraw/zinc/16/71/19/1013167119.db2.gz IOZQAIQTHJANDA-WIOPSUGQSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621824 1013167121 /nfs/dbraw/zinc/16/71/21/1013167121.db2.gz IOZQAIQTHJANDA-WIOPSUGQSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621824 1013167126 /nfs/dbraw/zinc/16/71/26/1013167126.db2.gz IOZQAIQTHJANDA-WIOPSUGQSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000537631544 1013185757 /nfs/dbraw/zinc/18/57/57/1013185757.db2.gz QEXJMZXTFOIUKV-UHFFFAOYSA-N 1 3 404.986 3.744 20 0 HHADHO Cc1cc([C@@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)ccc1F ZINC000542475862 1013423322 /nfs/dbraw/zinc/42/33/22/1013423322.db2.gz MFLNEVJRUAIDQV-RUZDIDTESA-N 1 3 419.548 3.815 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](COC)c3ccc(Cl)cc3)CC2)CC1 ZINC000553575822 1013472582 /nfs/dbraw/zinc/47/25/82/1013472582.db2.gz PKYRGDFLHWSYEQ-QFIPXVFZSA-N 1 3 422.013 3.682 20 0 HHADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000050797010 964399203 /nfs/dbraw/zinc/39/92/03/964399203.db2.gz AJDXCNJZWPCWNM-MRXNPFEDSA-N 1 3 411.512 3.874 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCCc3nc4ccccc4s3)CC2)CC1 ZINC000050801200 964401287 /nfs/dbraw/zinc/40/12/87/964401287.db2.gz MWDSBWZDGZHQJC-UHFFFAOYSA-N 1 3 414.619 3.684 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050801745 964402002 /nfs/dbraw/zinc/40/20/02/964402002.db2.gz YXCMNYQWQHXKPD-UHFFFAOYSA-N 1 3 415.622 3.818 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3Cc3ccccc3Cl)CC2)CC1 ZINC000051761345 964689051 /nfs/dbraw/zinc/68/90/51/964689051.db2.gz OTWYMVMIRNKFRX-OAQYLSRUSA-N 1 3 419.013 3.615 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)CC1 ZINC000051759688 964689175 /nfs/dbraw/zinc/68/91/75/964689175.db2.gz UOBFJLRUOTWEGU-NRFANRHFSA-N 1 3 404.986 3.649 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccco3)Cc3cccs3)CC2)CC1 ZINC000051759749 964689673 /nfs/dbraw/zinc/68/96/73/964689673.db2.gz WYDKSBJDPHIQCI-UHFFFAOYSA-N 1 3 416.591 3.612 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000537959489 1013539379 /nfs/dbraw/zinc/53/93/79/1013539379.db2.gz JKRSZNAOITZXKV-YSSFQJQWSA-N 1 3 400.592 3.932 20 0 HHADHO Cc1c([C@H](C)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969025 1013546117 /nfs/dbraw/zinc/54/61/17/1013546117.db2.gz IQOAYOLLSNPHOK-ULQDDVLXSA-N 1 3 405.974 3.769 20 0 HHADHO Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980945 1013557181 /nfs/dbraw/zinc/55/71/81/1013557181.db2.gz QJNIVBMNYAYFHT-JPYJTQIMSA-N 1 3 415.603 3.563 20 0 HHADHO O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000054037564 965366161 /nfs/dbraw/zinc/36/61/61/965366161.db2.gz NYOMGEMIRMDLNA-RTBURBONSA-N 1 3 400.523 3.536 20 0 HHADHO CN(CCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354079 966105064 /nfs/dbraw/zinc/10/50/64/966105064.db2.gz VZTMKMSANHOAEK-QFIPXVFZSA-N 1 3 419.491 3.689 20 0 HHADHO CN(CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354079 966105072 /nfs/dbraw/zinc/10/50/72/966105072.db2.gz VZTMKMSANHOAEK-QFIPXVFZSA-N 1 3 419.491 3.689 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000061550804 966497398 /nfs/dbraw/zinc/49/73/98/966497398.db2.gz MIMZXKWEZGVUQQ-DEOSSOPVSA-N 1 3 408.590 3.992 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H](C)O1 ZINC000062252999 966632246 /nfs/dbraw/zinc/63/22/46/966632246.db2.gz CSZVAXBXWNMRIK-SFTDATJTSA-N 1 3 419.573 3.913 20 0 HHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528284 966698436 /nfs/dbraw/zinc/69/84/36/966698436.db2.gz BAJAKUHQJAJTQD-UHFFFAOYSA-N 1 3 418.601 3.944 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063150066 966762939 /nfs/dbraw/zinc/76/29/39/966762939.db2.gz CMGSIGLMVGEFAF-UHFFFAOYSA-N 1 3 402.652 3.578 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063150066 966762942 /nfs/dbraw/zinc/76/29/42/966762942.db2.gz CMGSIGLMVGEFAF-UHFFFAOYSA-N 1 3 402.652 3.578 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000043522941 966991663 /nfs/dbraw/zinc/99/16/63/966991663.db2.gz PVVXXCPQLGSDQO-UHFFFAOYSA-N 1 3 401.599 3.523 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000064229596 967095223 /nfs/dbraw/zinc/09/52/23/967095223.db2.gz XGSPTIIFRXNVPT-UHFFFAOYSA-N 1 3 408.590 3.864 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000064229596 967095232 /nfs/dbraw/zinc/09/52/32/967095232.db2.gz XGSPTIIFRXNVPT-UHFFFAOYSA-N 1 3 408.590 3.864 20 0 HHADHO Cc1ccc(CN2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)cc1 ZINC000065466379 967479867 /nfs/dbraw/zinc/47/98/67/967479867.db2.gz PKXVVTRSKPOVIN-DEOSSOPVSA-N 1 3 408.590 3.824 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000045981856 967618147 /nfs/dbraw/zinc/61/81/47/967618147.db2.gz FEMBAZYUFKQBHH-UHFFFAOYSA-N 1 3 406.574 3.700 20 0 HHADHO O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226332 1013775530 /nfs/dbraw/zinc/77/55/30/1013775530.db2.gz PQAJTLSASWUTKG-NOZRDPDXSA-N 1 3 421.585 3.656 20 0 HHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000096626714 969048897 /nfs/dbraw/zinc/04/88/97/969048897.db2.gz MLHKKCVZDCVZPL-JOCHJYFZSA-N 1 3 409.549 3.819 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)c1 ZINC000195720496 969980963 /nfs/dbraw/zinc/98/09/63/969980963.db2.gz YFQULKSMJKKNHF-RPWUZVMVSA-N 1 3 424.589 3.743 20 0 HHADHO c1cn(-c2ccc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)cc2)cn1 ZINC000236698590 970157519 /nfs/dbraw/zinc/15/75/19/970157519.db2.gz REARAAKCBUDYFC-UHFFFAOYSA-N 1 3 403.574 3.560 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000236814964 970175672 /nfs/dbraw/zinc/17/56/72/970175672.db2.gz XQEQQTPSELGVGW-UHFFFAOYSA-N 1 3 407.537 3.833 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000554462044 1013958118 /nfs/dbraw/zinc/95/81/18/1013958118.db2.gz MJKAMNJBUDZHAT-IGKWTDBASA-N 1 3 424.589 3.823 20 0 HHADHO COC(=O)c1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237071189 970217140 /nfs/dbraw/zinc/21/71/40/970217140.db2.gz NMVFSEVODVZVAE-VQIMIIECSA-N 1 3 409.452 3.993 20 0 HHADHO COC(=O)c1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000237071189 970217147 /nfs/dbraw/zinc/21/71/47/970217147.db2.gz NMVFSEVODVZVAE-VQIMIIECSA-N 1 3 409.452 3.993 20 0 HHADHO Cc1ccc(-c2n[nH]cc2CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000237204992 970241321 /nfs/dbraw/zinc/24/13/21/970241321.db2.gz MMJIUBFRJLMVSX-UHFFFAOYSA-N 1 3 424.545 3.758 20 0 HHADHO Cc1ccc(-c2n[nH]cc2CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000237204992 970241328 /nfs/dbraw/zinc/24/13/28/970241328.db2.gz MMJIUBFRJLMVSX-UHFFFAOYSA-N 1 3 424.545 3.758 20 0 HHADHO COc1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(-c2ccccc2)cc1OC ZINC000237391288 970276563 /nfs/dbraw/zinc/27/65/63/970276563.db2.gz JHQJTCGBKBNNME-LJQANCHMSA-N 1 3 410.558 3.961 20 0 HHADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)c2cc1C ZINC000554540715 1013974058 /nfs/dbraw/zinc/97/40/58/1013974058.db2.gz FMGXGZHMWJYQCE-ACIOBRDBSA-N 1 3 406.574 3.514 20 0 HHADHO C[C@@H]1C[NH+](CCCCNCc2csc(-c3ccc4c(c3)OCO4)n2)C[C@@H](C)O1 ZINC000237571296 970315127 /nfs/dbraw/zinc/31/51/27/970315127.db2.gz OUIXNCSCYFOAKB-HZPDHXFCSA-N 1 3 403.548 3.518 20 0 HHADHO C[C@@H]1C[N@@H+](CCCCNCc2csc(-c3ccc4c(c3)OCO4)n2)C[C@H](C)O1 ZINC000237774408 970363610 /nfs/dbraw/zinc/36/36/10/970363610.db2.gz OUIXNCSCYFOAKB-IYBDPMFKSA-N 1 3 403.548 3.518 20 0 HHADHO C[C@@H]1C[N@H+](CCCCNCc2csc(-c3ccc4c(c3)OCO4)n2)C[C@H](C)O1 ZINC000237774408 970363618 /nfs/dbraw/zinc/36/36/18/970363618.db2.gz OUIXNCSCYFOAKB-IYBDPMFKSA-N 1 3 403.548 3.518 20 0 HHADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195563032 970514714 /nfs/dbraw/zinc/51/47/14/970514714.db2.gz IEPQJRKQSOQYSO-UHFFFAOYSA-N 1 3 412.553 3.695 20 0 HHADHO Brc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc2c1OCCO2 ZINC000311506254 972627135 /nfs/dbraw/zinc/62/71/35/972627135.db2.gz MRWJUTNPVCQYJT-QGZVFWFLSA-N 1 3 417.347 3.832 20 0 HHADHO OC1(CNCc2ccc(Br)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397552288 972871806 /nfs/dbraw/zinc/87/18/06/972871806.db2.gz YAAPSGGILIZRFS-UHFFFAOYSA-N 1 3 407.327 3.705 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426422315 974440227 /nfs/dbraw/zinc/44/02/27/974440227.db2.gz VMCVFSKSGITBQN-FQEVSTJZSA-N 1 3 411.590 3.649 20 0 HHADHO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426769390 974646088 /nfs/dbraw/zinc/64/60/88/974646088.db2.gz ILXBTJANDXYMPU-HDICACEKSA-N 1 3 405.558 3.674 20 0 HHADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000427342593 975065480 /nfs/dbraw/zinc/06/54/80/975065480.db2.gz QAIBSQUCSOGBIH-BGYRXZFFSA-N 1 3 422.573 3.599 20 0 HHADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000427342593 975065483 /nfs/dbraw/zinc/06/54/83/975065483.db2.gz QAIBSQUCSOGBIH-BGYRXZFFSA-N 1 3 422.573 3.599 20 0 HHADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000428233814 975553175 /nfs/dbraw/zinc/55/31/75/975553175.db2.gz USPILPOFVBLRPK-UBFVSLLYSA-N 1 3 405.586 3.869 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494175 976752209 /nfs/dbraw/zinc/75/22/09/976752209.db2.gz RAIZHAVNBXKPQW-COPCDDAFSA-N 1 3 400.611 3.584 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494175 976752217 /nfs/dbraw/zinc/75/22/17/976752217.db2.gz RAIZHAVNBXKPQW-COPCDDAFSA-N 1 3 400.611 3.584 20 0 HHADHO COc1ccccc1-n1nccc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000430010810 977269373 /nfs/dbraw/zinc/26/93/73/977269373.db2.gz FEDORDSKGWEJNL-UHFFFAOYSA-N 1 3 419.573 3.573 20 0 HHADHO C[C@H](C(=O)NCCC1=CCCCC1)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430951431 977910024 /nfs/dbraw/zinc/91/00/24/977910024.db2.gz LINIIZBMAUVNBF-OAQYLSRUSA-N 1 3 418.670 3.510 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccsc1 ZINC000431131046 978038375 /nfs/dbraw/zinc/03/83/75/978038375.db2.gz YCJIKFIPSODZGE-IBGZPJMESA-N 1 3 418.611 3.724 20 0 HHADHO CCN(C(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000431393197 978267274 /nfs/dbraw/zinc/26/72/74/978267274.db2.gz SBDJVPUVWILKHU-OAQYLSRUSA-N 1 3 420.686 3.684 20 0 HHADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431746197 978478288 /nfs/dbraw/zinc/47/82/88/978478288.db2.gz UFZGTMFQFQIJIV-XMMPIXPASA-N 1 3 412.622 3.502 20 0 HHADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431746197 978478291 /nfs/dbraw/zinc/47/82/91/978478291.db2.gz UFZGTMFQFQIJIV-XMMPIXPASA-N 1 3 412.622 3.502 20 0 HHADHO CN(CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Cc1ccccc1 ZINC000431862860 978558534 /nfs/dbraw/zinc/55/85/34/978558534.db2.gz ZORBOMJMOPOPPB-UHFFFAOYSA-N 1 3 420.601 3.816 20 0 HHADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Br)cc1 ZINC000431927067 978606122 /nfs/dbraw/zinc/60/61/22/978606122.db2.gz RJBYEYNZMROCPC-INIZCTEOSA-N 1 3 422.411 3.618 20 0 HHADHO Cc1ccc(-c2cccnc2)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000432970175 979029130 /nfs/dbraw/zinc/02/91/30/979029130.db2.gz FLFDGQYXTODEAT-UHFFFAOYSA-N 1 3 407.562 3.737 20 0 HHADHO O=C(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc2C1 ZINC000433061017 979055063 /nfs/dbraw/zinc/05/50/63/979055063.db2.gz NOOJANQGYAVXPM-UHFFFAOYSA-N 1 3 403.570 3.559 20 0 HHADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449240 980188634 /nfs/dbraw/zinc/18/86/34/980188634.db2.gz WOOWLAYYNVOHOL-TZIWHRDSSA-N 1 3 409.496 3.574 20 0 HHADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449240 980188638 /nfs/dbraw/zinc/18/86/38/980188638.db2.gz WOOWLAYYNVOHOL-TZIWHRDSSA-N 1 3 409.496 3.574 20 0 HHADHO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000460348085 982119695 /nfs/dbraw/zinc/11/96/95/982119695.db2.gz OHGNULMKFDOMLA-GZOXUSKESA-N 1 3 422.573 3.698 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438083892 982578381 /nfs/dbraw/zinc/57/83/81/982578381.db2.gz WWWYYIHCLYCBRF-JOCHJYFZSA-N 1 3 416.635 3.664 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438083892 982578383 /nfs/dbraw/zinc/57/83/83/982578383.db2.gz WWWYYIHCLYCBRF-JOCHJYFZSA-N 1 3 416.635 3.664 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000461209933 982923548 /nfs/dbraw/zinc/92/35/48/982923548.db2.gz CKFKKXNVYFYDHO-OXCBMLQPSA-N 1 3 420.601 3.841 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000461209933 982923551 /nfs/dbraw/zinc/92/35/51/982923551.db2.gz CKFKKXNVYFYDHO-OXCBMLQPSA-N 1 3 420.601 3.841 20 0 HHADHO CC[NH+]1CCC(CCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000461226597 982936407 /nfs/dbraw/zinc/93/64/07/982936407.db2.gz AQCBDPDOORZASR-NRFANRHFSA-N 1 3 411.512 3.679 20 0 HHADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000439199516 983307200 /nfs/dbraw/zinc/30/72/00/983307200.db2.gz OBVKEBPWUMSWCK-UHFFFAOYSA-N 1 3 400.592 3.617 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)N(C)C)cc1 ZINC000439261159 983336327 /nfs/dbraw/zinc/33/63/27/983336327.db2.gz QMOSSGYYHGZKST-OAQYLSRUSA-N 1 3 402.608 3.687 20 0 HHADHO CN1CCN(CC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1(C)C ZINC000441381734 984220691 /nfs/dbraw/zinc/22/06/91/984220691.db2.gz JBWPOQIQPDCHFZ-UHFFFAOYSA-N 1 3 408.306 3.584 20 0 HHADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000442874811 985254088 /nfs/dbraw/zinc/25/40/88/985254088.db2.gz NYLCEDXCBVMHFA-CYBMUJFWSA-N 1 3 407.452 3.566 20 0 HHADHO C[C@H](N[C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044541 985703110 /nfs/dbraw/zinc/70/31/10/985703110.db2.gz JHICHVRCRIEISF-JXFKEZNVSA-N 1 3 421.632 3.706 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3F)C(C)(C)C)CC2)CC1 ZINC000468290917 985988929 /nfs/dbraw/zinc/98/89/29/985988929.db2.gz IXJRCDXZDWLXFL-OAQYLSRUSA-N 1 3 422.564 3.910 20 0 HHADHO Cc1cccc([C@H](CNC2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)c1 ZINC000463139767 986108155 /nfs/dbraw/zinc/10/81/55/986108155.db2.gz IDORXCPWVWWGBK-SANMLTNESA-N 1 3 407.602 3.665 20 0 HHADHO Cc1cccc([C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)N2CCOCC2)c1 ZINC000463139766 986108398 /nfs/dbraw/zinc/10/83/98/986108398.db2.gz IDORXCPWVWWGBK-AREMUKBSSA-N 1 3 407.602 3.665 20 0 HHADHO c1ccc(CCN2CCC([NH2+]C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1 ZINC000463244049 986211946 /nfs/dbraw/zinc/21/19/46/986211946.db2.gz SHQZPCZPKHQNFI-SANMLTNESA-N 1 3 407.602 3.574 20 0 HHADHO Fc1ccc(N2CCN(CCNC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000463298604 986265987 /nfs/dbraw/zinc/26/59/87/986265987.db2.gz DQLPMQSPMMYTNI-VORXZUAXSA-N 1 3 422.592 3.733 20 0 HHADHO Fc1ccc(N2CCN(CCNC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000463298604 986266002 /nfs/dbraw/zinc/26/60/02/986266002.db2.gz DQLPMQSPMMYTNI-VORXZUAXSA-N 1 3 422.592 3.733 20 0 HHADHO CN1CCC(O)(C[NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC000468628877 986346074 /nfs/dbraw/zinc/34/60/74/986346074.db2.gz RUAYOUIDBLFODC-UHFFFAOYSA-N 1 3 405.336 3.788 20 0 HHADHO O=C(Nc1ccccc1Br)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000444598033 986785576 /nfs/dbraw/zinc/78/55/76/986785576.db2.gz OFPMTWQKEUXHHW-UHFFFAOYSA-N 1 3 408.384 3.976 20 0 HHADHO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469787779 987433173 /nfs/dbraw/zinc/43/31/73/987433173.db2.gz RERHLOUZDJHFRP-FKBYEOEOSA-N 1 3 407.602 3.788 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccccc3F)C3CCCC3)CC2)CC1 ZINC000445517598 987574707 /nfs/dbraw/zinc/57/47/07/987574707.db2.gz DZXALYFVAZKWOB-QHCPKHFHSA-N 1 3 416.585 3.915 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000470284904 988241835 /nfs/dbraw/zinc/24/18/35/988241835.db2.gz SAPSYLFZKAKGFM-QHCPKHFHSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747941 988788560 /nfs/dbraw/zinc/78/85/60/988788560.db2.gz UKQXWDFRKSKVLV-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747941 988788572 /nfs/dbraw/zinc/78/85/72/988788572.db2.gz UKQXWDFRKSKVLV-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO CCC[NH+]1CCN(c2ccc(NC(=O)c3cccc(CN(C)C)c3)c(OCC)c2)CC1 ZINC000471171078 989297539 /nfs/dbraw/zinc/29/75/39/989297539.db2.gz YFKATYGHBGUNPS-UHFFFAOYSA-N 1 3 424.589 3.931 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465694784 990080870 /nfs/dbraw/zinc/08/08/70/990080870.db2.gz QHHHVTIVMGAXBP-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000465694784 990080882 /nfs/dbraw/zinc/08/08/82/990080882.db2.gz QHHHVTIVMGAXBP-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727259 990112613 /nfs/dbraw/zinc/11/26/13/990112613.db2.gz OYXYQOCJJPHJNB-VQTJNVASSA-N 1 3 424.511 3.744 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745803 990131032 /nfs/dbraw/zinc/13/10/32/990131032.db2.gz GHGLDOSEIMVZPB-VTZPFEBOSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745803 990131036 /nfs/dbraw/zinc/13/10/36/990131036.db2.gz GHGLDOSEIMVZPB-VTZPFEBOSA-N 1 3 420.601 3.985 20 0 HHADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000465809800 990192253 /nfs/dbraw/zinc/19/22/53/990192253.db2.gz KKJKEXWXSSOYDQ-QFIPXVFZSA-N 1 3 400.611 3.601 20 0 HHADHO CCC[C@H](CCc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465825377 990208368 /nfs/dbraw/zinc/20/83/68/990208368.db2.gz DUJPZEPZYCTMBO-OAQYLSRUSA-N 1 3 400.611 3.646 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824628 990208748 /nfs/dbraw/zinc/20/87/48/990208748.db2.gz ZXVRZLWRABWGIO-LADGPHEKSA-N 1 3 408.590 3.761 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824628 990208757 /nfs/dbraw/zinc/20/87/57/990208757.db2.gz ZXVRZLWRABWGIO-LADGPHEKSA-N 1 3 408.590 3.761 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073885 991246531 /nfs/dbraw/zinc/24/65/31/991246531.db2.gz FLFWDCXWNFMOCO-QUCCMNQESA-N 1 3 406.640 3.894 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073885 991246551 /nfs/dbraw/zinc/24/65/51/991246551.db2.gz FLFWDCXWNFMOCO-QUCCMNQESA-N 1 3 406.640 3.894 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2ccccc2Br)(N2CCCCC2)CC1 ZINC000466145374 991328375 /nfs/dbraw/zinc/32/83/75/991328375.db2.gz MFEDZOGQAAHHOC-UHFFFAOYSA-N 1 3 409.372 3.521 20 0 HHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466295929 991546367 /nfs/dbraw/zinc/54/63/67/991546367.db2.gz FFUVQMPNKQWQGW-OAQYLSRUSA-N 1 3 407.002 3.678 20 0 HHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466295929 991546375 /nfs/dbraw/zinc/54/63/75/991546375.db2.gz FFUVQMPNKQWQGW-OAQYLSRUSA-N 1 3 407.002 3.678 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000466525164 991820517 /nfs/dbraw/zinc/82/05/17/991820517.db2.gz GIJQWQRWPMPMAT-URXFXBBRSA-N 1 3 420.601 3.955 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361880 992680530 /nfs/dbraw/zinc/68/05/30/992680530.db2.gz KJWZQGRKTWBAQQ-ZKMPZPQNSA-N 1 3 403.570 3.575 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000467361880 992680535 /nfs/dbraw/zinc/68/05/35/992680535.db2.gz KJWZQGRKTWBAQQ-ZKMPZPQNSA-N 1 3 403.570 3.575 20 0 HHADHO Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468095 992760485 /nfs/dbraw/zinc/76/04/85/992760485.db2.gz QLLLDIWHNRNYLF-PZJWPPBQSA-N 1 3 410.562 3.720 20 0 HHADHO CC(C)N1CCN(CCC[N@H+](C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000472599812 993555633 /nfs/dbraw/zinc/55/56/33/993555633.db2.gz WFTPVUNWZBKDAA-UHFFFAOYSA-N 1 3 408.428 3.829 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000472599812 993555638 /nfs/dbraw/zinc/55/56/38/993555638.db2.gz WFTPVUNWZBKDAA-UHFFFAOYSA-N 1 3 408.428 3.829 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480897583 993755336 /nfs/dbraw/zinc/75/53/36/993755336.db2.gz LKIGWFJVQHWXKC-GOSISDBHSA-N 1 3 406.574 3.515 20 0 HHADHO C[C@H](CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000473024565 993943312 /nfs/dbraw/zinc/94/33/12/993943312.db2.gz FVDMADOGBRIZNB-HXUWFJFHSA-N 1 3 412.578 3.796 20 0 HHADHO C[C@H](CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473024565 993943330 /nfs/dbraw/zinc/94/33/30/993943330.db2.gz FVDMADOGBRIZNB-HXUWFJFHSA-N 1 3 412.578 3.796 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331356 994150276 /nfs/dbraw/zinc/15/02/76/994150276.db2.gz PFDAAOAQHRJVIA-GBXCKJPGSA-N 1 3 423.605 3.950 20 0 HHADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000473502558 994350895 /nfs/dbraw/zinc/35/08/95/994350895.db2.gz KKXBRZDYYXVMLE-FQEVSTJZSA-N 1 3 415.626 3.599 20 0 HHADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000473502558 994350903 /nfs/dbraw/zinc/35/09/03/994350903.db2.gz KKXBRZDYYXVMLE-FQEVSTJZSA-N 1 3 415.626 3.599 20 0 HHADHO C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539121 994370551 /nfs/dbraw/zinc/37/05/51/994370551.db2.gz YESLOLNDKQKKNC-WZONZLPQSA-N 1 3 411.546 3.595 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835362 994768971 /nfs/dbraw/zinc/76/89/71/994768971.db2.gz KMBZMZXDVNAMKI-NZQKXSOJSA-N 1 3 421.589 3.786 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835362 994768984 /nfs/dbraw/zinc/76/89/84/994768984.db2.gz KMBZMZXDVNAMKI-NZQKXSOJSA-N 1 3 421.589 3.786 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3cccc(C[NH+]4CCCC4)c3)c2)CC1 ZINC000473840812 994776505 /nfs/dbraw/zinc/77/65/05/994776505.db2.gz QPBYOYKHAVVNAL-UHFFFAOYSA-N 1 3 421.589 3.746 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932189 994803979 /nfs/dbraw/zinc/80/39/79/994803979.db2.gz MQLKSSSQIVLDII-SXLOBPIMSA-N 1 3 410.002 3.654 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000481932189 994803989 /nfs/dbraw/zinc/80/39/89/994803989.db2.gz MQLKSSSQIVLDII-SXLOBPIMSA-N 1 3 410.002 3.654 20 0 HHADHO C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125404 995074653 /nfs/dbraw/zinc/07/46/53/995074653.db2.gz VAPNQTVSAONKKN-HYBUGGRVSA-N 1 3 409.574 3.511 20 0 HHADHO C[NH+]1CCN(Cc2ccc(CNCc3c(F)cccc3Br)cc2)CC1 ZINC000474466966 995429395 /nfs/dbraw/zinc/42/93/95/995429395.db2.gz CXDNOQXMVZAHDP-UHFFFAOYSA-N 1 3 406.343 3.625 20 0 HHADHO Cn1cc(-c2ncc(CNCc3ccccc3-c3ccc(C[NH+](C)C)cc3)cn2)cn1 ZINC000474482375 995440037 /nfs/dbraw/zinc/44/00/37/995440037.db2.gz KVXXLUJNKGVIKW-UHFFFAOYSA-N 1 3 412.541 3.896 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000474510093 995470696 /nfs/dbraw/zinc/47/06/96/995470696.db2.gz KDKBNOHUZMFZAR-NPHXMPSESA-N 1 3 400.611 3.659 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000474510093 995470701 /nfs/dbraw/zinc/47/07/01/995470701.db2.gz KDKBNOHUZMFZAR-NPHXMPSESA-N 1 3 400.611 3.659 20 0 HHADHO C[NH+](C)C1CCN(CCNCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000482698719 995689124 /nfs/dbraw/zinc/68/91/24/995689124.db2.gz ZRCULOGCEYIBTR-UHFFFAOYSA-N 1 3 418.029 3.939 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798338 995714483 /nfs/dbraw/zinc/71/44/83/995714483.db2.gz KMFMJCVOBXOGMS-DLBZAZTESA-N 1 3 421.301 3.935 20 0 HHADHO C[C@@H]1C[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875078 995809221 /nfs/dbraw/zinc/80/92/21/995809221.db2.gz QJWNEZNXUKTOQZ-RDTXWAMCSA-N 1 3 408.384 3.530 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475012539 995868830 /nfs/dbraw/zinc/86/88/30/995868830.db2.gz IPTBVZKADYIMAH-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO C[NH+](C)[C@H](CNC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475015434 995871216 /nfs/dbraw/zinc/87/12/16/995871216.db2.gz IAIGUDNYAIFXFO-LJQANCHMSA-N 1 3 407.480 3.949 20 0 HHADHO C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138457 995947507 /nfs/dbraw/zinc/94/75/07/995947507.db2.gz MLIZMMOEKFRURD-DVECYGJZSA-N 1 3 402.542 3.818 20 0 HHADHO C[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138459 995947522 /nfs/dbraw/zinc/94/75/22/995947522.db2.gz MLIZMMOEKFRURD-YADARESESA-N 1 3 402.542 3.818 20 0 HHADHO C[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000475154870 995958192 /nfs/dbraw/zinc/95/81/92/995958192.db2.gz RRXAXBVAKYXBCU-DNVCBOLYSA-N 1 3 404.352 3.519 20 0 HHADHO Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126831 995991131 /nfs/dbraw/zinc/99/11/31/995991131.db2.gz LMKWXOYYLYXTQF-VQTJNVASSA-N 1 3 417.619 3.945 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140178 995998772 /nfs/dbraw/zinc/99/87/72/995998772.db2.gz ZSOAHWNGNFWTIC-QFUCXCTJSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483140178 995998777 /nfs/dbraw/zinc/99/87/77/995998777.db2.gz ZSOAHWNGNFWTIC-QFUCXCTJSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814923 996405567 /nfs/dbraw/zinc/40/55/67/996405567.db2.gz HCZXCNZOQYKJHE-UWVAXJGDSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814923 996405569 /nfs/dbraw/zinc/40/55/69/996405569.db2.gz HCZXCNZOQYKJHE-UWVAXJGDSA-N 1 3 413.400 3.943 20 0 HHADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475998409 996527908 /nfs/dbraw/zinc/52/79/08/996527908.db2.gz APIMEPMWQDPNMA-UHFFFAOYSA-N 1 3 414.638 3.990 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000484835928 997201519 /nfs/dbraw/zinc/20/15/19/997201519.db2.gz ISLFBGAIYSGAJI-QHCPKHFHSA-N 1 3 400.611 3.661 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926233 997301355 /nfs/dbraw/zinc/30/13/55/997301355.db2.gz PYTAHVZWAPWRFU-ZQMYSKGWSA-N 1 3 418.528 3.846 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926233 997301363 /nfs/dbraw/zinc/30/13/63/997301363.db2.gz PYTAHVZWAPWRFU-ZQMYSKGWSA-N 1 3 418.528 3.846 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926231 997301457 /nfs/dbraw/zinc/30/14/57/997301457.db2.gz PYTAHVZWAPWRFU-NLSFWIRASA-N 1 3 418.528 3.846 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926231 997301463 /nfs/dbraw/zinc/30/14/63/997301463.db2.gz PYTAHVZWAPWRFU-NLSFWIRASA-N 1 3 418.528 3.846 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000476871715 997447908 /nfs/dbraw/zinc/44/79/08/997447908.db2.gz FVLCNDSQDJUAPQ-QFIPXVFZSA-N 1 3 400.542 3.770 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000476957233 997572679 /nfs/dbraw/zinc/57/26/79/997572679.db2.gz ZNRFXJLFJYVXRR-FQEVSTJZSA-N 1 3 412.622 3.745 20 0 HHADHO CN(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000477160211 997821715 /nfs/dbraw/zinc/82/17/15/997821715.db2.gz KFMLQIOEJYQAJH-XMMPIXPASA-N 1 3 412.622 3.599 20 0 HHADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399170 997828866 /nfs/dbraw/zinc/82/88/66/997828866.db2.gz FZBFZFFPJBXAFO-URXFXBBRSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399170 997828874 /nfs/dbraw/zinc/82/88/74/997828874.db2.gz FZBFZFFPJBXAFO-URXFXBBRSA-N 1 3 420.601 3.645 20 0 HHADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486089418 998536439 /nfs/dbraw/zinc/53/64/39/998536439.db2.gz LNWPBGGRRKXWFG-VWLOTQADSA-N 1 3 421.585 3.693 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486976048 999024610 /nfs/dbraw/zinc/02/46/10/999024610.db2.gz RCUBPGVQBXBRRF-LJQANCHMSA-N 1 3 416.585 3.663 20 0 HHADHO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000487319685 999134329 /nfs/dbraw/zinc/13/43/29/999134329.db2.gz MPXGFDRXUSRQFK-OAHLLOKOSA-N 1 3 408.468 3.686 20 0 HHADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802577 999147980 /nfs/dbraw/zinc/14/79/80/999147980.db2.gz SXCTYFWKYOPJFC-DENIHFKCSA-N 1 3 412.578 3.981 20 0 HHADHO CC(C)C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051477 999268074 /nfs/dbraw/zinc/26/80/74/999268074.db2.gz AALLUXFMDWSNGH-PKOBYXMFSA-N 1 3 410.400 3.713 20 0 HHADHO CC(C)C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051477 999268079 /nfs/dbraw/zinc/26/80/79/999268079.db2.gz AALLUXFMDWSNGH-PKOBYXMFSA-N 1 3 410.400 3.713 20 0 HHADHO CN(C)C(=O)Nc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000479054578 999270080 /nfs/dbraw/zinc/27/00/80/999270080.db2.gz ZPTHHJBMDPJJFW-UHFFFAOYSA-N 1 3 409.578 3.600 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461063 999427274 /nfs/dbraw/zinc/42/72/74/999427274.db2.gz BESVVLJZTVNNRF-AZUAARDMSA-N 1 3 401.576 3.621 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461063 999427278 /nfs/dbraw/zinc/42/72/78/999427278.db2.gz BESVVLJZTVNNRF-AZUAARDMSA-N 1 3 401.576 3.621 20 0 HHADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000480136699 999727350 /nfs/dbraw/zinc/72/73/50/999727350.db2.gz IGGRLAORXLCZEY-LJQANCHMSA-N 1 3 415.603 3.919 20 0 HHADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000480142162 999728972 /nfs/dbraw/zinc/72/89/72/999728972.db2.gz DWPRXTNDQIKKID-SFHVURJKSA-N 1 3 403.592 3.630 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333071 999747248 /nfs/dbraw/zinc/74/72/48/999747248.db2.gz PXICZLVFBLCJEJ-LOSJGSFVSA-N 1 3 420.601 3.957 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333071 999747249 /nfs/dbraw/zinc/74/72/49/999747249.db2.gz PXICZLVFBLCJEJ-LOSJGSFVSA-N 1 3 420.601 3.957 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000489393505 999757586 /nfs/dbraw/zinc/75/75/86/999757586.db2.gz CFYQCHJNLFNPRZ-UHFFFAOYSA-N 1 3 408.590 3.944 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1 ZINC000489393505 999757589 /nfs/dbraw/zinc/75/75/89/999757589.db2.gz CFYQCHJNLFNPRZ-UHFFFAOYSA-N 1 3 408.590 3.944 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387205 999786517 /nfs/dbraw/zinc/78/65/17/999786517.db2.gz DOUWMPFSYKPRKP-OQUNMALSSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387205 999786519 /nfs/dbraw/zinc/78/65/19/999786519.db2.gz DOUWMPFSYKPRKP-OQUNMALSSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394512 999788485 /nfs/dbraw/zinc/78/84/85/999788485.db2.gz OMXIUQIQTCPVEF-ROXDYWFKSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394512 999788487 /nfs/dbraw/zinc/78/84/87/999788487.db2.gz OMXIUQIQTCPVEF-ROXDYWFKSA-N 1 3 408.586 3.878 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543437 999788846 /nfs/dbraw/zinc/78/88/46/999788846.db2.gz GXGDHXYLPJPRNE-URXFXBBRSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543437 999788848 /nfs/dbraw/zinc/78/88/48/999788848.db2.gz GXGDHXYLPJPRNE-URXFXBBRSA-N 1 3 408.590 3.813 20 0 HHADHO Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455697 999803199 /nfs/dbraw/zinc/80/31/99/999803199.db2.gz WBIHZKUIGXEFEW-OFVILXPXSA-N 1 3 411.590 3.660 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000489847290 999848650 /nfs/dbraw/zinc/84/86/50/999848650.db2.gz ZEFFQXHIABDFBD-ILBGXUMGSA-N 1 3 420.601 3.687 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000489847290 999848652 /nfs/dbraw/zinc/84/86/52/999848652.db2.gz ZEFFQXHIABDFBD-ILBGXUMGSA-N 1 3 420.601 3.687 20 0 HHADHO C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490654855 999989334 /nfs/dbraw/zinc/98/93/34/999989334.db2.gz ZALHIRQLZDCHQD-DHLKQENFSA-N 1 3 407.602 3.750 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4nc(C(F)F)sc4c3)CC2)CC1 ZINC000490660160 999990272 /nfs/dbraw/zinc/99/02/72/999990272.db2.gz KNPYETHGWOUXTG-UHFFFAOYSA-N 1 3 423.533 3.914 20 0 HHADHO C[NH+](C)C1CCN(CCN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493084150 1000156989 /nfs/dbraw/zinc/15/69/89/1000156989.db2.gz YYEPKIGVNZGMIX-JOCHJYFZSA-N 1 3 403.517 3.993 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000504965352 1000475874 /nfs/dbraw/zinc/47/58/74/1000475874.db2.gz LNZZFMBFWRZNSA-GOSISDBHSA-N 1 3 422.664 3.546 20 0 HHADHO Fc1cncc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000494560608 1000555009 /nfs/dbraw/zinc/55/50/09/1000555009.db2.gz HAHJLDDMLNNAEX-UHFFFAOYSA-N 1 3 410.459 3.932 20 0 HHADHO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494566752 1000557472 /nfs/dbraw/zinc/55/74/72/1000557472.db2.gz WUDRZKWEMOIAEU-URXFXBBRSA-N 1 3 415.622 3.542 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC000494834019 1000685324 /nfs/dbraw/zinc/68/53/24/1000685324.db2.gz CPIGHTFPRUODHV-UHFFFAOYSA-N 1 3 403.876 3.647 20 0 HHADHO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000505590076 1000923320 /nfs/dbraw/zinc/92/33/20/1000923320.db2.gz DLJUUNKUMXGIPP-XXBNENTESA-N 1 3 419.573 3.533 20 0 HHADHO Clc1ccc(-c2nnc(CN3CCC(CCC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000506031732 1001177236 /nfs/dbraw/zinc/17/72/36/1001177236.db2.gz MSPXGXLNXVSPIS-UHFFFAOYSA-N 1 3 404.942 3.714 20 0 HHADHO Clc1cnn(C2CCN(C/C=C\C[NH+]3CCC(n4cc(Cl)cn4)CC3)CC2)c1 ZINC000506038110 1001181923 /nfs/dbraw/zinc/18/19/23/1001181923.db2.gz YGQCYKGWCXMYEP-UPHRSURJSA-N 1 3 423.392 3.917 20 0 HHADHO CN(C)C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000496634288 1001207950 /nfs/dbraw/zinc/20/79/50/1001207950.db2.gz WKTCPEHMUIYSGD-NHYNNZIHSA-N 1 3 424.564 3.923 20 0 HHADHO CN(C)C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000496634288 1001207954 /nfs/dbraw/zinc/20/79/54/1001207954.db2.gz WKTCPEHMUIYSGD-NHYNNZIHSA-N 1 3 424.564 3.923 20 0 HHADHO CN(C)C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000496634291 1001207977 /nfs/dbraw/zinc/20/79/77/1001207977.db2.gz WKTCPEHMUIYSGD-UCBGAZFYSA-N 1 3 424.564 3.923 20 0 HHADHO CN(C)C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000496634291 1001207984 /nfs/dbraw/zinc/20/79/84/1001207984.db2.gz WKTCPEHMUIYSGD-UCBGAZFYSA-N 1 3 424.564 3.923 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506176347 1001261125 /nfs/dbraw/zinc/26/11/25/1001261125.db2.gz XMJMIQAAILRZGT-INIZCTEOSA-N 1 3 422.545 3.576 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000497611011 1001458044 /nfs/dbraw/zinc/45/80/44/1001458044.db2.gz LFRJWBQZOILHIM-CYFREDJKSA-N 1 3 424.589 3.823 20 0 HHADHO CCCCCNC(=O)C1CC[NH+](Cc2ccccc2N2CCN(CCC)CC2)CC1 ZINC000506916324 1001592325 /nfs/dbraw/zinc/59/23/25/1001592325.db2.gz XMOFEWMQOCFILY-UHFFFAOYSA-N 1 3 414.638 3.737 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922913 1001595598 /nfs/dbraw/zinc/59/55/98/1001595598.db2.gz QTKZHQCAZLSBHJ-NHTMILBNSA-N 1 3 412.622 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922913 1001595601 /nfs/dbraw/zinc/59/56/01/1001595601.db2.gz QTKZHQCAZLSBHJ-NHTMILBNSA-N 1 3 412.622 3.947 20 0 HHADHO Cc1ccccc1[C@@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204345 1001893122 /nfs/dbraw/zinc/89/31/22/1001893122.db2.gz KOXRIQXRZFPBCN-JTHBVZDNSA-N 1 3 405.586 3.954 20 0 HHADHO Cc1ccc([C@H](NCC2(C)CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000507472484 1002091614 /nfs/dbraw/zinc/09/16/14/1002091614.db2.gz FDEFACXOZXGKNY-QFIPXVFZSA-N 1 3 400.588 3.809 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000507502998 1002115942 /nfs/dbraw/zinc/11/59/42/1002115942.db2.gz UTFZVXYTNBQPKD-JOCHJYFZSA-N 1 3 415.528 3.912 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000507502998 1002115948 /nfs/dbraw/zinc/11/59/48/1002115948.db2.gz UTFZVXYTNBQPKD-JOCHJYFZSA-N 1 3 415.528 3.912 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC000507708959 1002299846 /nfs/dbraw/zinc/29/98/46/1002299846.db2.gz OQMCMUCIPQAPLL-UHFFFAOYSA-N 1 3 401.986 3.906 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000499095960 1002487316 /nfs/dbraw/zinc/48/73/16/1002487316.db2.gz VGKNSYRWPMINAP-HSZRJFAPSA-N 1 3 416.610 3.783 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365700 1003794655 /nfs/dbraw/zinc/79/46/55/1003794655.db2.gz LENNOJJSBSSENX-FXAWDEMLSA-N 1 3 410.587 3.592 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365700 1003794665 /nfs/dbraw/zinc/79/46/65/1003794665.db2.gz LENNOJJSBSSENX-FXAWDEMLSA-N 1 3 410.587 3.592 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000509533500 1003928074 /nfs/dbraw/zinc/92/80/74/1003928074.db2.gz RRIDAFCZQNUPIL-UHFFFAOYSA-N 1 3 409.603 3.576 20 0 HHADHO CCOc1ccccc1[C@@H](CC)NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027883 1004131564 /nfs/dbraw/zinc/13/15/64/1004131564.db2.gz WXPHXATZRGSWDZ-HSZRJFAPSA-N 1 3 424.589 3.896 20 0 HHADHO Cc1ccc(CN(C(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501067679 1004170527 /nfs/dbraw/zinc/17/05/27/1004170527.db2.gz INZQNCQFBCYOQA-UHFFFAOYSA-N 1 3 406.574 3.729 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000501086026 1004191040 /nfs/dbraw/zinc/19/10/40/1004191040.db2.gz UWKKSWLUTBNBAF-OFNKIYASSA-N 1 3 421.589 3.602 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@H]2CCc3ccccc3C2)CC1 ZINC000512316190 1004211518 /nfs/dbraw/zinc/21/15/18/1004211518.db2.gz XDKWCZXBEADBAW-VWLOTQADSA-N 1 3 405.586 3.565 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501163566 1004246915 /nfs/dbraw/zinc/24/69/15/1004246915.db2.gz NKHUYYFPWGXNLS-JOCHJYFZSA-N 1 3 414.619 3.879 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000501163566 1004246926 /nfs/dbraw/zinc/24/69/26/1004246926.db2.gz NKHUYYFPWGXNLS-JOCHJYFZSA-N 1 3 414.619 3.879 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388903 1004384688 /nfs/dbraw/zinc/38/46/88/1004384688.db2.gz VLDFUBDMDRFMSI-YVNJGZBMSA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388903 1004384696 /nfs/dbraw/zinc/38/46/96/1004384696.db2.gz VLDFUBDMDRFMSI-YVNJGZBMSA-N 1 3 412.578 3.919 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391651 1004386707 /nfs/dbraw/zinc/38/67/07/1004386707.db2.gz MXORZUICMDFBIS-CKUXNOBLSA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391651 1004386716 /nfs/dbraw/zinc/38/67/16/1004386716.db2.gz MXORZUICMDFBIS-CKUXNOBLSA-N 1 3 424.589 3.508 20 0 HHADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501402004 1004393823 /nfs/dbraw/zinc/39/38/23/1004393823.db2.gz GTWPZCPIOAISMM-ZEYPLWLESA-N 1 3 412.553 3.638 20 0 HHADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501402004 1004393834 /nfs/dbraw/zinc/39/38/34/1004393834.db2.gz GTWPZCPIOAISMM-ZEYPLWLESA-N 1 3 412.553 3.638 20 0 HHADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646763 1004458316 /nfs/dbraw/zinc/45/83/16/1004458316.db2.gz CYLLCBQCUGMHRY-CCDWMCETSA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646763 1004458321 /nfs/dbraw/zinc/45/83/21/1004458321.db2.gz CYLLCBQCUGMHRY-CCDWMCETSA-N 1 3 401.558 3.717 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713328 1004512544 /nfs/dbraw/zinc/51/25/44/1004512544.db2.gz ZLSWWAIIHBYQOH-RTBURBONSA-N 1 3 402.583 3.538 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713328 1004512552 /nfs/dbraw/zinc/51/25/52/1004512552.db2.gz ZLSWWAIIHBYQOH-RTBURBONSA-N 1 3 402.583 3.538 20 0 HHADHO CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2N2CCN(CCC)CC2)CC1 ZINC000510386094 1004526826 /nfs/dbraw/zinc/52/68/26/1004526826.db2.gz HZUBHJGUZOZUPE-UHFFFAOYSA-N 1 3 414.638 3.689 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@H]1C ZINC000512800962 1004567056 /nfs/dbraw/zinc/56/70/56/1004567056.db2.gz BTKPRNKNLZFQSG-CBQOVEMMSA-N 1 3 404.599 3.591 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@H]1C ZINC000512800962 1004567058 /nfs/dbraw/zinc/56/70/58/1004567058.db2.gz BTKPRNKNLZFQSG-CBQOVEMMSA-N 1 3 404.599 3.591 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000512820771 1004580005 /nfs/dbraw/zinc/58/00/05/1004580005.db2.gz NTNUNYIWNVYTPP-GGAORHGYSA-N 1 3 416.610 3.736 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501667404 1004585473 /nfs/dbraw/zinc/58/54/73/1004585473.db2.gz VNUPIYJFAPEPMX-VXKWHMMOSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501667404 1004585475 /nfs/dbraw/zinc/58/54/75/1004585475.db2.gz VNUPIYJFAPEPMX-VXKWHMMOSA-N 1 3 409.578 3.842 20 0 HHADHO C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1CCCCCC1 ZINC000510869536 1004901865 /nfs/dbraw/zinc/90/18/65/1004901865.db2.gz YDIGKBBFMVWMLU-LJQANCHMSA-N 1 3 400.567 3.704 20 0 HHADHO CSc1ccccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000511145515 1005044166 /nfs/dbraw/zinc/04/41/66/1005044166.db2.gz UZLZMLIANWQPOS-UHFFFAOYSA-N 1 3 411.615 3.869 20 0 HHADHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000513692307 1005084263 /nfs/dbraw/zinc/08/42/63/1005084263.db2.gz YYHAWTVUIDKVHO-SSGKUCQKSA-N 1 3 407.606 3.997 20 0 HHADHO CN1CCO[C@H]([C@H](NCc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366872 1005141458 /nfs/dbraw/zinc/14/14/58/1005141458.db2.gz LBZVAZDAOMCIJK-FCHUYYIVSA-N 1 3 405.945 3.702 20 0 HHADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453748 1005183264 /nfs/dbraw/zinc/18/32/64/1005183264.db2.gz KUQPZEVKKBLCDF-NTFDOXNWSA-N 1 3 407.986 3.609 20 0 HHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000502946551 1005287420 /nfs/dbraw/zinc/28/74/20/1005287420.db2.gz BKOJEFPLVSULFB-HXUWFJFHSA-N 1 3 408.590 3.863 20 0 HHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514177026 1005299684 /nfs/dbraw/zinc/29/96/84/1005299684.db2.gz ZWHMTXZXSNQEHS-LEWJYISDSA-N 1 3 412.603 3.534 20 0 HHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514177026 1005299694 /nfs/dbraw/zinc/29/96/94/1005299694.db2.gz ZWHMTXZXSNQEHS-LEWJYISDSA-N 1 3 412.603 3.534 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000514232790 1005324637 /nfs/dbraw/zinc/32/46/37/1005324637.db2.gz QFKFMSLUACMSOZ-UHFFFAOYSA-N 1 3 420.601 3.646 20 0 HHADHO CC(C)(C)OC(=O)c1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000514243529 1005330162 /nfs/dbraw/zinc/33/01/62/1005330162.db2.gz UKGJTODDHKBPEH-QHCPKHFHSA-N 1 3 410.558 3.888 20 0 HHADHO CC(C)(C)OC(=O)c1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000514243529 1005330166 /nfs/dbraw/zinc/33/01/66/1005330166.db2.gz UKGJTODDHKBPEH-QHCPKHFHSA-N 1 3 410.558 3.888 20 0 HHADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)o1 ZINC000504024420 1005535045 /nfs/dbraw/zinc/53/50/45/1005535045.db2.gz JMEOXTRXKBKSNR-HXUWFJFHSA-N 1 3 401.526 3.530 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000504398765 1005618763 /nfs/dbraw/zinc/61/87/63/1005618763.db2.gz IICGTWCVBORQJI-NRFANRHFSA-N 1 3 423.605 3.587 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000504398765 1005618767 /nfs/dbraw/zinc/61/87/67/1005618767.db2.gz IICGTWCVBORQJI-NRFANRHFSA-N 1 3 423.605 3.587 20 0 HHADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000514833563 1006163848 /nfs/dbraw/zinc/16/38/48/1006163848.db2.gz JEGDJVJJZPNIIG-LOSJGSFVSA-N 1 3 420.601 3.712 20 0 HHADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000514833563 1006163858 /nfs/dbraw/zinc/16/38/58/1006163858.db2.gz JEGDJVJJZPNIIG-LOSJGSFVSA-N 1 3 420.601 3.712 20 0 HHADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000514833562 1006164161 /nfs/dbraw/zinc/16/41/61/1006164161.db2.gz JEGDJVJJZPNIIG-JWQCQUIFSA-N 1 3 420.601 3.712 20 0 HHADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000514833562 1006164166 /nfs/dbraw/zinc/16/41/66/1006164166.db2.gz JEGDJVJJZPNIIG-JWQCQUIFSA-N 1 3 420.601 3.712 20 0 HHADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000534253195 1006261924 /nfs/dbraw/zinc/26/19/24/1006261924.db2.gz UVQKGIWVQYHIMH-JOCHJYFZSA-N 1 3 419.491 3.819 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000531582202 1006285175 /nfs/dbraw/zinc/28/51/75/1006285175.db2.gz HIJUSBVMZCXDSK-OAQYLSRUSA-N 1 3 411.638 3.841 20 0 HHADHO CN(c1ccccc1CNCc1ccc(-n2ccnc2)c(F)c1)C1CC[NH+](C)CC1 ZINC000531597834 1006296509 /nfs/dbraw/zinc/29/65/09/1006296509.db2.gz CPMPBAUCNYATIZ-UHFFFAOYSA-N 1 3 407.537 3.832 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677682 1006349160 /nfs/dbraw/zinc/34/91/60/1006349160.db2.gz KXSYTKWPZHNPHK-MZYLBHOOSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677682 1006349173 /nfs/dbraw/zinc/34/91/73/1006349173.db2.gz KXSYTKWPZHNPHK-MZYLBHOOSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531677682 1006349182 /nfs/dbraw/zinc/34/91/82/1006349182.db2.gz KXSYTKWPZHNPHK-MZYLBHOOSA-N 1 3 412.647 3.537 20 0 HHADHO Cc1cc(C)c(CN[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c(C)c1 ZINC000531949859 1006539614 /nfs/dbraw/zinc/53/96/14/1006539614.db2.gz KJTOTJCRDZITSX-FQEVSTJZSA-N 1 3 417.619 3.693 20 0 HHADHO COCC[N@H+](C)CCOc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000531965654 1006550250 /nfs/dbraw/zinc/55/02/50/1006550250.db2.gz KLWJQIBRQJUSAI-QHCPKHFHSA-N 1 3 400.588 3.764 20 0 HHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000531965654 1006550261 /nfs/dbraw/zinc/55/02/61/1006550261.db2.gz KLWJQIBRQJUSAI-QHCPKHFHSA-N 1 3 400.588 3.764 20 0 HHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)o1 ZINC000532015462 1006577014 /nfs/dbraw/zinc/57/70/14/1006577014.db2.gz MQYVEEQCXOEZBM-DHIUTWEWSA-N 1 3 420.557 3.908 20 0 HHADHO CCCOc1c(Cl)cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532016088 1006577691 /nfs/dbraw/zinc/57/76/91/1006577691.db2.gz PLGJROULZYIOEY-VQTJNVASSA-N 1 3 410.986 3.995 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534683483 1006662641 /nfs/dbraw/zinc/66/26/41/1006662641.db2.gz VJOYCUNBAZSISJ-PZUNEJSGSA-N 1 3 420.601 3.985 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534683483 1006662646 /nfs/dbraw/zinc/66/26/46/1006662646.db2.gz VJOYCUNBAZSISJ-PZUNEJSGSA-N 1 3 420.601 3.985 20 0 HHADHO C[N@H+]1CC=C(CNCc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000538445522 1006712555 /nfs/dbraw/zinc/71/25/55/1006712555.db2.gz ORSINJPLFIVXEE-UHFFFAOYSA-N 1 3 402.336 3.775 20 0 HHADHO C[N@@H+]1CC=C(CNCc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000538445522 1006712564 /nfs/dbraw/zinc/71/25/64/1006712564.db2.gz ORSINJPLFIVXEE-UHFFFAOYSA-N 1 3 402.336 3.775 20 0 HHADHO CCCN1CCN(c2ccccc2CNc2cccc(C[NH+]3CCC(O)CC3)c2)CC1 ZINC000532294772 1006778095 /nfs/dbraw/zinc/77/80/95/1006778095.db2.gz KYJMZHOEMMWUBI-UHFFFAOYSA-N 1 3 422.617 3.787 20 0 HHADHO CCN1CCN(Cc2ccc(N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000538538923 1006800568 /nfs/dbraw/zinc/80/05/68/1006800568.db2.gz QAUSZPGSVJLIIV-NRFANRHFSA-N 1 3 410.606 3.938 20 0 HHADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000532374452 1006830597 /nfs/dbraw/zinc/83/05/97/1006830597.db2.gz YULISHCXGHJBQE-UHFFFAOYSA-N 1 3 404.986 3.527 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539060416 1007353909 /nfs/dbraw/zinc/35/39/09/1007353909.db2.gz SFGQSVOVFMBBGV-TZYHBYERSA-N 1 3 416.610 3.979 20 0 HHADHO CN1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000535338823 1007390688 /nfs/dbraw/zinc/39/06/88/1007390688.db2.gz DKRNSFOGQFAEBU-ZEQRLZLVSA-N 1 3 406.574 3.917 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340264 1007392668 /nfs/dbraw/zinc/39/26/68/1007392668.db2.gz MKPNNDPRTMLFEX-YUXAGFNASA-N 1 3 412.603 3.705 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340264 1007392685 /nfs/dbraw/zinc/39/26/85/1007392685.db2.gz MKPNNDPRTMLFEX-YUXAGFNASA-N 1 3 412.603 3.705 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340260 1007393125 /nfs/dbraw/zinc/39/31/25/1007393125.db2.gz MKPNNDPRTMLFEX-BVYCBKJFSA-N 1 3 412.603 3.705 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1c1ccccc1 ZINC000535340260 1007393141 /nfs/dbraw/zinc/39/31/41/1007393141.db2.gz MKPNNDPRTMLFEX-BVYCBKJFSA-N 1 3 412.603 3.705 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000535341896 1007395822 /nfs/dbraw/zinc/39/58/22/1007395822.db2.gz XMJFVLMSQSXGQZ-RPWUZVMVSA-N 1 3 424.589 3.652 20 0 HHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039287 1007399818 /nfs/dbraw/zinc/39/98/18/1007399818.db2.gz FHWCCVJDJFSWTB-DEOSSOPVSA-N 1 3 414.553 3.736 20 0 HHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc(-c4ccccn4)c3)c2)C1 ZINC000533039287 1007399829 /nfs/dbraw/zinc/39/98/29/1007399829.db2.gz FHWCCVJDJFSWTB-DEOSSOPVSA-N 1 3 414.553 3.736 20 0 HHADHO COC(=O)c1oc([C@@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000539250041 1007542007 /nfs/dbraw/zinc/54/20/07/1007542007.db2.gz UWVPWCVDKZUYBT-GOSISDBHSA-N 1 3 405.583 3.564 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000517438594 1007660585 /nfs/dbraw/zinc/66/05/85/1007660585.db2.gz GDPKJIMQVIMJRD-NHYWBVRUSA-N 1 3 420.189 3.992 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000517438594 1007660591 /nfs/dbraw/zinc/66/05/91/1007660591.db2.gz GDPKJIMQVIMJRD-NHYWBVRUSA-N 1 3 420.189 3.992 20 0 HHADHO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(CN2CCCC2)c1 ZINC000539374628 1007678714 /nfs/dbraw/zinc/67/87/14/1007678714.db2.gz DVJSDUIGDWZMKI-UHFFFAOYSA-N 1 3 421.585 3.730 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393888 1007699833 /nfs/dbraw/zinc/69/98/33/1007699833.db2.gz ISVFKNSDKIXLDQ-QFIPXVFZSA-N 1 3 409.530 3.602 20 0 HHADHO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000539393888 1007699840 /nfs/dbraw/zinc/69/98/40/1007699840.db2.gz ISVFKNSDKIXLDQ-QFIPXVFZSA-N 1 3 409.530 3.602 20 0 HHADHO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000533448350 1007764685 /nfs/dbraw/zinc/76/46/85/1007764685.db2.gz HDDBKVMWMHUMTO-HSZRJFAPSA-N 1 3 404.558 3.953 20 0 HHADHO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000533448350 1007764694 /nfs/dbraw/zinc/76/46/94/1007764694.db2.gz HDDBKVMWMHUMTO-HSZRJFAPSA-N 1 3 404.558 3.953 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000517702544 1007917033 /nfs/dbraw/zinc/91/70/33/1007917033.db2.gz FPCYDJBUPUGEFU-UHFFFAOYSA-N 1 3 420.601 3.501 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3cccc(C[N@@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014529 1008103350 /nfs/dbraw/zinc/10/33/50/1008103350.db2.gz MNOPFRFOHOOKGS-ZEQRLZLVSA-N 1 3 404.562 3.590 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3cccc(C[N@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014529 1008103356 /nfs/dbraw/zinc/10/33/56/1008103356.db2.gz MNOPFRFOHOOKGS-ZEQRLZLVSA-N 1 3 404.562 3.590 20 0 HHADHO CCN1CC[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518222433 1008211335 /nfs/dbraw/zinc/21/13/35/1008211335.db2.gz RKKYNRSBWIBDPW-VXKWHMMOSA-N 1 3 411.009 3.620 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000540184258 1008326520 /nfs/dbraw/zinc/32/65/20/1008326520.db2.gz YMGGGYFWSLLJKZ-XXBNENTESA-N 1 3 402.579 3.804 20 0 HHADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520020 1008335688 /nfs/dbraw/zinc/33/56/88/1008335688.db2.gz QDBTWKCVMRRFFE-AZUAARDMSA-N 1 3 404.624 3.837 20 0 HHADHO CC1CCN([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520020 1008335693 /nfs/dbraw/zinc/33/56/93/1008335693.db2.gz QDBTWKCVMRRFFE-AZUAARDMSA-N 1 3 404.624 3.837 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000518652811 1008380507 /nfs/dbraw/zinc/38/05/07/1008380507.db2.gz FDCLTZHAFSXBPN-UHFFFAOYSA-N 1 3 403.570 3.945 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000518652811 1008380516 /nfs/dbraw/zinc/38/05/16/1008380516.db2.gz FDCLTZHAFSXBPN-UHFFFAOYSA-N 1 3 403.570 3.945 20 0 HHADHO CCC(CC)[C@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461403 1008441154 /nfs/dbraw/zinc/44/11/54/1008441154.db2.gz OOVXGDJLSXWVIN-PKTZIBPZSA-N 1 3 415.622 3.701 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]C1CCN(Cc3ccccn3)CC1)c1ccccc1O2 ZINC000540475004 1008446096 /nfs/dbraw/zinc/44/60/96/1008446096.db2.gz JHRRVIDUPKKYJF-QHCPKHFHSA-N 1 3 406.574 3.624 20 0 HHADHO Fc1ccc([C@@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000543402284 1008993935 /nfs/dbraw/zinc/99/39/35/1008993935.db2.gz FVTOFIUSCGOBJY-DEOSSOPVSA-N 1 3 405.521 3.507 20 0 HHADHO CN1CC[NH+](CCCCN[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000543707557 1009313984 /nfs/dbraw/zinc/31/39/84/1009313984.db2.gz BUZIUHDRWVZNFD-FQEVSTJZSA-N 1 3 406.368 3.749 20 0 HHADHO COc1cc2c(c(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c1)O[C@@H](C)C2 ZINC000520210993 1009344916 /nfs/dbraw/zinc/34/49/16/1009344916.db2.gz LSLPIWGRCVLZPU-NRFANRHFSA-N 1 3 423.601 3.706 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000549762715 1009379455 /nfs/dbraw/zinc/37/94/55/1009379455.db2.gz DWTFTBBHROZITE-SFHVURJKSA-N 1 3 407.986 3.564 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000549762715 1009379467 /nfs/dbraw/zinc/37/94/67/1009379467.db2.gz DWTFTBBHROZITE-SFHVURJKSA-N 1 3 407.986 3.564 20 0 HHADHO COc1ccc([C@@H](NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000549903049 1009523491 /nfs/dbraw/zinc/52/34/91/1009523491.db2.gz CNPYJBTUTGZGLB-SANMLTNESA-N 1 3 421.585 3.825 20 0 HHADHO Cc1cccc([C@@H]2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189723 1009792290 /nfs/dbraw/zinc/79/22/90/1009792290.db2.gz JKRJULNKWFJHAK-ZJSXRUAMSA-N 1 3 405.586 3.954 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)CC1 ZINC000544487375 1010111023 /nfs/dbraw/zinc/11/10/23/1010111023.db2.gz DOUZTCWIHIBUTH-UHFFFAOYSA-N 1 3 408.590 3.510 20 0 HHADHO Cc1noc(C2CCC([NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCOCC4)CC2)n1 ZINC000550882545 1010239382 /nfs/dbraw/zinc/23/93/82/1010239382.db2.gz NPTMZOXGRSUYOQ-KOENEWCDSA-N 1 3 424.589 3.923 20 0 HHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000521687097 1010550746 /nfs/dbraw/zinc/55/07/46/1010550746.db2.gz KPYWWZSNENJQCH-KRWDZBQOSA-N 1 3 410.553 3.549 20 0 HHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000521687097 1010550757 /nfs/dbraw/zinc/55/07/57/1010550757.db2.gz KPYWWZSNENJQCH-KRWDZBQOSA-N 1 3 410.553 3.549 20 0 HHADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000548410103 1010618014 /nfs/dbraw/zinc/61/80/14/1010618014.db2.gz GFFMIMOQJZAFLP-UHFFFAOYSA-N 1 3 406.574 3.672 20 0 HHADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000521857865 1010666851 /nfs/dbraw/zinc/66/68/51/1010666851.db2.gz BATKICGRGCVPDU-DEOSSOPVSA-N 1 3 406.574 3.804 20 0 HHADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000521857865 1010666856 /nfs/dbraw/zinc/66/68/56/1010666856.db2.gz BATKICGRGCVPDU-DEOSSOPVSA-N 1 3 406.574 3.804 20 0 HHADHO CN(CCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1cc[nH+]cc1 ZINC000548606318 1010678974 /nfs/dbraw/zinc/67/89/74/1010678974.db2.gz XYWDTTNMNYOXPW-JOCHJYFZSA-N 1 3 416.516 3.918 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000545302354 1010721693 /nfs/dbraw/zinc/72/16/93/1010721693.db2.gz RFYJOPVORPWGDD-HSZRJFAPSA-N 1 3 402.627 3.905 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545302354 1010721698 /nfs/dbraw/zinc/72/16/98/1010721698.db2.gz RFYJOPVORPWGDD-HSZRJFAPSA-N 1 3 402.627 3.905 20 0 HHADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)o1 ZINC000521991082 1010752208 /nfs/dbraw/zinc/75/22/08/1010752208.db2.gz JAIBEQKRRVJCAG-HSZRJFAPSA-N 1 3 412.578 3.807 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000522287883 1010908412 /nfs/dbraw/zinc/90/84/12/1010908412.db2.gz LGCASIBYTWCTMY-VWLOTQADSA-N 1 3 422.617 3.633 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000522287883 1010908417 /nfs/dbraw/zinc/90/84/17/1010908417.db2.gz LGCASIBYTWCTMY-VWLOTQADSA-N 1 3 422.617 3.633 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000522318095 1010926610 /nfs/dbraw/zinc/92/66/10/1010926610.db2.gz QKSNQQOVWPRRJW-XUZZJYLKSA-N 1 3 408.590 3.904 20 0 HHADHO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522401905 1010983736 /nfs/dbraw/zinc/98/37/36/1010983736.db2.gz QPOJJOJKSSBJDN-IBGZPJMESA-N 1 3 400.611 3.601 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)CC2)CC1 ZINC000522665871 1011147973 /nfs/dbraw/zinc/14/79/73/1011147973.db2.gz AUYVMJKPJDCSBN-UHFFFAOYSA-N 1 3 408.590 3.725 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763796 1011202668 /nfs/dbraw/zinc/20/26/68/1011202668.db2.gz SYZMLBPWIBBKJS-YVWKXTFCSA-N 1 3 424.511 3.624 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763796 1011202673 /nfs/dbraw/zinc/20/26/73/1011202673.db2.gz SYZMLBPWIBBKJS-YVWKXTFCSA-N 1 3 424.511 3.624 20 0 HHADHO C[C@H](Oc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1)c1ccccc1 ZINC000523305515 1011783492 /nfs/dbraw/zinc/78/34/92/1011783492.db2.gz NGLNNRFMIHRLSF-IBGZPJMESA-N 1 3 422.573 3.510 20 0 HHADHO Cn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000536758535 1011953236 /nfs/dbraw/zinc/95/32/36/1011953236.db2.gz URGHZKXFVORWQN-UHFFFAOYSA-N 1 3 417.601 3.775 20 0 HHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860030 1012094633 /nfs/dbraw/zinc/09/46/33/1012094633.db2.gz VWUVTJQRBIDAJV-LJQANCHMSA-N 1 3 415.603 3.918 20 0 HHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860030 1012094652 /nfs/dbraw/zinc/09/46/52/1012094652.db2.gz VWUVTJQRBIDAJV-LJQANCHMSA-N 1 3 415.603 3.918 20 0 HHADHO CSc1c(F)cc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000541464612 1012227034 /nfs/dbraw/zinc/22/70/34/1012227034.db2.gz FWTFPEXCDPBSLD-UHFFFAOYSA-N 1 3 412.550 3.759 20 0 HHADHO Brc1cnn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000552332469 1012341162 /nfs/dbraw/zinc/34/11/62/1012341162.db2.gz SYUMKGLYQHJMPI-DFQSSKMNSA-N 1 3 403.368 3.536 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919150 1012779210 /nfs/dbraw/zinc/77/92/10/1012779210.db2.gz UKXIEJQYSJCWLI-DNVCBOLYSA-N 1 3 406.473 3.714 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1OC(F)F ZINC000541919150 1012779219 /nfs/dbraw/zinc/77/92/19/1012779219.db2.gz UKXIEJQYSJCWLI-DNVCBOLYSA-N 1 3 406.473 3.714 20 0 HHADHO CC(C)[NH+]1CCC(N2CCN(C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001168275526 1072156057 /nfs/dbraw/zinc/15/60/57/1072156057.db2.gz MHEOGESWKNEHAH-OAQYLSRUSA-N 1 3 422.658 3.514 20 0 HHADHO C[C@@H](C(=O)Nc1ccccc1CN(C)C)[C@@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000570874845 1072400127 /nfs/dbraw/zinc/40/01/27/1072400127.db2.gz HOWZDBBDLMZKPV-QZTJIDSGSA-N 1 3 410.562 3.659 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000537673174 1072543563 /nfs/dbraw/zinc/54/35/63/1072543563.db2.gz DLBWABSCLDOSNI-LJQANCHMSA-N 1 3 412.622 3.699 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000479409594 1072830937 /nfs/dbraw/zinc/83/09/37/1072830937.db2.gz FVSOIMCXUAZCBY-NFBKMPQASA-N 1 3 400.611 3.975 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000479409594 1072830947 /nfs/dbraw/zinc/83/09/47/1072830947.db2.gz FVSOIMCXUAZCBY-NFBKMPQASA-N 1 3 400.611 3.975 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228034 1073273847 /nfs/dbraw/zinc/27/38/47/1073273847.db2.gz TVQONZCHQHWFSI-TWHAJKEOSA-N 1 3 402.579 3.895 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228034 1073273855 /nfs/dbraw/zinc/27/38/55/1073273855.db2.gz TVQONZCHQHWFSI-TWHAJKEOSA-N 1 3 402.579 3.895 20 0 HHADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417711 1073451943 /nfs/dbraw/zinc/45/19/43/1073451943.db2.gz ISYVVWINPRWYRT-AUSIDOKSSA-N 1 3 419.585 3.558 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417711 1073451951 /nfs/dbraw/zinc/45/19/51/1073451951.db2.gz ISYVVWINPRWYRT-AUSIDOKSSA-N 1 3 419.585 3.558 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)cc2)CC1 ZINC000600326284 1073760604 /nfs/dbraw/zinc/76/06/04/1073760604.db2.gz DHWAHXNOUMYQMV-UHFFFAOYSA-N 1 3 422.617 3.987 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)cc2)CC1 ZINC000600326284 1073760613 /nfs/dbraw/zinc/76/06/13/1073760613.db2.gz DHWAHXNOUMYQMV-UHFFFAOYSA-N 1 3 422.617 3.987 20 0 HHADHO C[C@H]1CCC[N@H+](CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000592490624 1074770123 /nfs/dbraw/zinc/77/01/23/1074770123.db2.gz VWPSFNWHHKZOGH-SFHVURJKSA-N 1 3 407.002 3.583 20 0 HHADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000592490624 1074770131 /nfs/dbraw/zinc/77/01/31/1074770131.db2.gz VWPSFNWHHKZOGH-SFHVURJKSA-N 1 3 407.002 3.583 20 0 HHADHO CN(Cc1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646397 719297015 /nfs/dbraw/zinc/29/70/15/719297015.db2.gz BEERFEIBVOXOEW-UPVQGACJSA-N 1 3 410.537 3.864 20 0 HHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(CNC4CCC4)c3C2)nc1 ZINC001164843000 720740333 /nfs/dbraw/zinc/74/03/33/720740333.db2.gz HBGLYFOXYJNTEO-JOCHJYFZSA-N 1 3 408.594 3.877 20 0 HHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(CNC4CCC4)c3C2)nc1 ZINC001164843000 720740339 /nfs/dbraw/zinc/74/03/39/720740339.db2.gz HBGLYFOXYJNTEO-JOCHJYFZSA-N 1 3 408.594 3.877 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000542148807 1013084716 /nfs/dbraw/zinc/08/47/16/1013084716.db2.gz UMUVSWOLSDLAPO-QGZVFWFLSA-N 1 3 412.578 3.749 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000542148807 1013084732 /nfs/dbraw/zinc/08/47/32/1013084732.db2.gz UMUVSWOLSDLAPO-QGZVFWFLSA-N 1 3 412.578 3.749 20 0 HHADHO CC[NH+](CC)CCOC1CCN(Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000537660476 1013221988 /nfs/dbraw/zinc/22/19/88/1013221988.db2.gz FLYJDPNWAJVSBZ-UHFFFAOYSA-N 1 3 402.558 3.951 20 0 HHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000537728013 1013288318 /nfs/dbraw/zinc/28/83/18/1013288318.db2.gz FSEKTMOTJVDMJA-DEOSSOPVSA-N 1 3 407.558 3.858 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)CC2)CC1 ZINC000553416915 1013339125 /nfs/dbraw/zinc/33/91/25/1013339125.db2.gz BHPGSGODCIZHDK-UHFFFAOYSA-N 1 3 415.597 3.803 20 0 HHADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843544 1013405307 /nfs/dbraw/zinc/40/53/07/1013405307.db2.gz ADHVXYKWUQUWAQ-PMACEKPBSA-N 1 3 424.589 3.894 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3SC(F)(F)F)CC2)CC1 ZINC000050799039 964399609 /nfs/dbraw/zinc/39/96/09/964399609.db2.gz DVHQVETXAVRVCW-UHFFFAOYSA-N 1 3 401.498 3.587 20 0 HHADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1-c1cccc(C)c1 ZINC000050803128 964401412 /nfs/dbraw/zinc/40/14/12/964401412.db2.gz PUCDVACBGOXRTA-UHFFFAOYSA-N 1 3 408.590 3.691 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3COc3ccccc3)CC2)CC1 ZINC000050800119 964401571 /nfs/dbraw/zinc/40/15/71/964401571.db2.gz SNAPLNCGIGLXLD-UHFFFAOYSA-N 1 3 407.558 3.554 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3c4ccccc4Oc4ccccc43)CC2)CC1 ZINC000051464035 964581870 /nfs/dbraw/zinc/58/18/70/964581870.db2.gz AWZHYVKKPLJBAI-UHFFFAOYSA-N 1 3 405.542 3.599 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051758765 964689398 /nfs/dbraw/zinc/68/93/98/964689398.db2.gz KFDUPDFRRDUNDS-HNNXBMFYSA-N 1 3 412.500 3.624 20 0 HHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000537969207 1013546596 /nfs/dbraw/zinc/54/65/96/1013546596.db2.gz PQXJGBRWYSDUGE-WOJBJXKFSA-N 1 3 409.574 3.803 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccncc2)cc1 ZINC000537970446 1013547510 /nfs/dbraw/zinc/54/75/10/1013547510.db2.gz VINNIARKBGLGNT-IBGZPJMESA-N 1 3 402.542 3.891 20 0 HHADHO c1ccc([C@@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000542697210 1013614833 /nfs/dbraw/zinc/61/48/33/1013614833.db2.gz HPSWULUKNLDOFM-RUZDIDTESA-N 1 3 402.542 3.873 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000061791687 966555623 /nfs/dbraw/zinc/55/56/23/966555623.db2.gz IJWLUJSEJFACPH-IBGZPJMESA-N 1 3 404.624 3.520 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000061795729 966558359 /nfs/dbraw/zinc/55/83/59/966558359.db2.gz SXNSPSMJXJWROR-HXUWFJFHSA-N 1 3 400.592 3.836 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000061795729 966558368 /nfs/dbraw/zinc/55/83/68/966558368.db2.gz SXNSPSMJXJWROR-HXUWFJFHSA-N 1 3 400.592 3.836 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccccc2F)c1 ZINC000064229459 967095480 /nfs/dbraw/zinc/09/54/80/967095480.db2.gz CLJBSTWBBARUEA-UHFFFAOYSA-N 1 3 400.542 3.551 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccccc2F)c1 ZINC000064229459 967095494 /nfs/dbraw/zinc/09/54/94/967095494.db2.gz CLJBSTWBBARUEA-UHFFFAOYSA-N 1 3 400.542 3.551 20 0 HHADHO Cc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000538145827 1013705126 /nfs/dbraw/zinc/70/51/26/1013705126.db2.gz ZUOLAMYRDJHQJB-UHFFFAOYSA-N 1 3 401.986 3.563 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)N(C)C)cc1 ZINC000064644411 967257530 /nfs/dbraw/zinc/25/75/30/967257530.db2.gz WVRGYALRCYKSHM-UGKGYDQZSA-N 1 3 414.619 3.871 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)N(C)C)cc1 ZINC000064644411 967257538 /nfs/dbraw/zinc/25/75/38/967257538.db2.gz WVRGYALRCYKSHM-UGKGYDQZSA-N 1 3 414.619 3.871 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000045790113 967553708 /nfs/dbraw/zinc/55/37/08/967553708.db2.gz RRDNYKZFOIFYSK-UHFFFAOYSA-N 1 3 408.590 3.944 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000045790113 967553715 /nfs/dbraw/zinc/55/37/15/967553715.db2.gz RRDNYKZFOIFYSK-UHFFFAOYSA-N 1 3 408.590 3.944 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@H](NCCc1nnc(-c3ccccc3)o1)c1ccccc1O2 ZINC000538292719 1013828025 /nfs/dbraw/zinc/82/80/25/1013828025.db2.gz ALFPUDBILSTEHW-FQEVSTJZSA-N 1 3 404.514 3.857 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1nnc(-c3ccccc3)o1)c1ccccc1O2 ZINC000538292719 1013828029 /nfs/dbraw/zinc/82/80/29/1013828029.db2.gz ALFPUDBILSTEHW-FQEVSTJZSA-N 1 3 404.514 3.857 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626737 969049615 /nfs/dbraw/zinc/04/96/15/969049615.db2.gz BLMYSAOCTZYVNX-NRFANRHFSA-N 1 3 424.564 3.818 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)cc2)CC1 ZINC000096626737 969049618 /nfs/dbraw/zinc/04/96/18/969049618.db2.gz BLMYSAOCTZYVNX-NRFANRHFSA-N 1 3 424.564 3.818 20 0 HHADHO O=C(NCCC[NH+]1CCCCCC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000111067648 969770540 /nfs/dbraw/zinc/77/05/40/969770540.db2.gz OYLZDVBTQDPFOE-OAQYLSRUSA-N 1 3 411.512 3.823 20 0 HHADHO CC(C)c1nn(-c2ccccc2)c(Cl)c1CNC1CCN(CC[NH+](C)C)CC1 ZINC000236629201 970149153 /nfs/dbraw/zinc/14/91/53/970149153.db2.gz LTDPCBNENKJAQM-UHFFFAOYSA-N 1 3 404.002 3.765 20 0 HHADHO CC1(C)Cc2cc(CNCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)ccc2O1 ZINC000236694201 970156747 /nfs/dbraw/zinc/15/67/47/970156747.db2.gz YOFDMQFBCCEJEN-UHFFFAOYSA-N 1 3 407.558 3.516 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccccc2Cn2cccn2)CC1 ZINC000236814184 970175807 /nfs/dbraw/zinc/17/58/07/970175807.db2.gz MXDCKGNZKXEHEO-UHFFFAOYSA-N 1 3 403.574 3.753 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236849199 970180165 /nfs/dbraw/zinc/18/01/65/970180165.db2.gz BITDYVPZKRKLPP-IBGZPJMESA-N 1 3 409.603 3.716 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000236947908 970192883 /nfs/dbraw/zinc/19/28/83/970192883.db2.gz VSJJKGGDLDRDPJ-SFHVURJKSA-N 1 3 418.029 3.565 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000236952530 970194186 /nfs/dbraw/zinc/19/41/86/970194186.db2.gz YRNYRLKSWPKREC-GOSISDBHSA-N 1 3 418.029 3.565 20 0 HHADHO CN1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000237183853 970237399 /nfs/dbraw/zinc/23/73/99/970237399.db2.gz GGLKMTLZMFINFS-MRXNPFEDSA-N 1 3 404.352 3.855 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C[C@@H](C)O1 ZINC000237403127 970278438 /nfs/dbraw/zinc/27/84/38/970278438.db2.gz NYZFPTUFOOFGNT-DBXWQHBBSA-N 1 3 410.986 3.877 20 0 HHADHO CC(=O)c1ccc(OC[C@H](O)CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000554546126 1013975048 /nfs/dbraw/zinc/97/50/48/1013975048.db2.gz YRBFLBZUBRPSKR-XMMPIXPASA-N 1 3 410.558 3.651 20 0 HHADHO Fc1ccccc1-c1n[nH]cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000237881568 970388322 /nfs/dbraw/zinc/38/83/22/970388322.db2.gz VHISTISLAWNVSJ-UHFFFAOYSA-N 1 3 421.564 3.903 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237884277 970389282 /nfs/dbraw/zinc/38/92/82/970389282.db2.gz GXKGUPBRKBSKOO-UHFFFAOYSA-N 1 3 405.464 3.821 20 0 HHADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000237914405 970393129 /nfs/dbraw/zinc/39/31/29/970393129.db2.gz FBYFNJUVYJOJMA-LJQANCHMSA-N 1 3 415.965 3.596 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000261379356 970636051 /nfs/dbraw/zinc/63/60/51/970636051.db2.gz BOZGEHAUQQVGHU-QGZVFWFLSA-N 1 3 422.639 3.529 20 0 HHADHO CC[N@@H+](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)CC1CC1 ZINC000261412458 970661435 /nfs/dbraw/zinc/66/14/35/970661435.db2.gz KZDWZJIYZCZAJA-UHFFFAOYSA-N 1 3 406.574 3.679 20 0 HHADHO CC[N@H+](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)CC1CC1 ZINC000261412458 970661439 /nfs/dbraw/zinc/66/14/39/970661439.db2.gz KZDWZJIYZCZAJA-UHFFFAOYSA-N 1 3 406.574 3.679 20 0 HHADHO Cc1cc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c2ccccc2[nH+]1 ZINC000301128770 970761859 /nfs/dbraw/zinc/76/18/59/970761859.db2.gz WHDMBPOMZMSOAN-NRFANRHFSA-N 1 3 401.558 3.977 20 0 HHADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000427705712 975245838 /nfs/dbraw/zinc/24/58/38/975245838.db2.gz JXRODDVVBXBLQO-AWEZNQCLSA-N 1 3 410.331 3.817 20 0 HHADHO Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000427932127 975355706 /nfs/dbraw/zinc/35/57/06/975355706.db2.gz NWBFKILDZOAQKM-QFIPXVFZSA-N 1 3 409.578 3.697 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283287 975597243 /nfs/dbraw/zinc/59/72/43/975597243.db2.gz STSFIJPWELSIQK-PXDATVDWSA-N 1 3 420.601 3.787 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283287 975597255 /nfs/dbraw/zinc/59/72/55/975597255.db2.gz STSFIJPWELSIQK-PXDATVDWSA-N 1 3 420.601 3.787 20 0 HHADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1Br ZINC000429448011 976725077 /nfs/dbraw/zinc/72/50/77/976725077.db2.gz SSPYDUREZFVGTP-QGZVFWFLSA-N 1 3 409.412 3.987 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677694 978430679 /nfs/dbraw/zinc/43/06/79/978430679.db2.gz FGCGIHFWFKHZTK-IFMALSPDSA-N 1 3 424.589 3.939 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677694 978430683 /nfs/dbraw/zinc/43/06/83/978430683.db2.gz FGCGIHFWFKHZTK-IFMALSPDSA-N 1 3 424.589 3.939 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)CC2)CC1 ZINC000432375774 978785015 /nfs/dbraw/zinc/78/50/15/978785015.db2.gz SZZZSMCSIYQXOV-JOCHJYFZSA-N 1 3 420.548 3.760 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448460554 981793792 /nfs/dbraw/zinc/79/37/92/981793792.db2.gz CTSVCKMCWCSVPX-SLFFLAALSA-N 1 3 406.640 3.893 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448460554 981793801 /nfs/dbraw/zinc/79/38/01/981793801.db2.gz CTSVCKMCWCSVPX-SLFFLAALSA-N 1 3 406.640 3.893 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466221 981800644 /nfs/dbraw/zinc/80/06/44/981800644.db2.gz LRIOBSGGHHHGJM-NHTMILBNSA-N 1 3 410.606 3.790 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466221 981800657 /nfs/dbraw/zinc/80/06/57/981800657.db2.gz LRIOBSGGHHHGJM-NHTMILBNSA-N 1 3 410.606 3.790 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448467823 981803984 /nfs/dbraw/zinc/80/39/84/981803984.db2.gz RRYWRGSSIYFOQN-AKIFATBCSA-N 1 3 400.611 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448467823 981803994 /nfs/dbraw/zinc/80/39/94/981803994.db2.gz RRYWRGSSIYFOQN-AKIFATBCSA-N 1 3 400.611 3.831 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000461209934 982923504 /nfs/dbraw/zinc/92/35/04/982923504.db2.gz CKFKKXNVYFYDHO-VDVKDMFPSA-N 1 3 420.601 3.841 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000461209934 982923509 /nfs/dbraw/zinc/92/35/09/982923509.db2.gz CKFKKXNVYFYDHO-VDVKDMFPSA-N 1 3 420.601 3.841 20 0 HHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260177 982965727 /nfs/dbraw/zinc/96/57/27/982965727.db2.gz CBMJYQZBEBHCPV-PZJWPPBQSA-N 1 3 411.512 3.774 20 0 HHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260177 982965731 /nfs/dbraw/zinc/96/57/31/982965731.db2.gz CBMJYQZBEBHCPV-PZJWPPBQSA-N 1 3 411.512 3.774 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000438974887 983189371 /nfs/dbraw/zinc/18/93/71/983189371.db2.gz PSNCSJNQBCPAND-FQEVSTJZSA-N 1 3 421.589 3.702 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439196525 983304649 /nfs/dbraw/zinc/30/46/49/983304649.db2.gz GOJHJWHXNQLCOQ-FQEVSTJZSA-N 1 3 423.605 3.900 20 0 HHADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CCCN2C2CCCC2)ccc1OC ZINC000439844536 983555794 /nfs/dbraw/zinc/55/57/94/983555794.db2.gz VMBOXMNVPSIVJV-HXUWFJFHSA-N 1 3 403.567 3.761 20 0 HHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000441366216 984210746 /nfs/dbraw/zinc/21/07/46/984210746.db2.gz MPWZDQZYJKCOHO-UHFFFAOYSA-N 1 3 417.601 3.963 20 0 HHADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462011434 984990086 /nfs/dbraw/zinc/99/00/86/984990086.db2.gz QZWPVLHGDQENGW-INIZCTEOSA-N 1 3 402.505 3.507 20 0 HHADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000462011434 984990091 /nfs/dbraw/zinc/99/00/91/984990091.db2.gz QZWPVLHGDQENGW-INIZCTEOSA-N 1 3 402.505 3.507 20 0 HHADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442874714 985254146 /nfs/dbraw/zinc/25/41/46/985254146.db2.gz NNUXQVOIJSBYLZ-RDTXWAMCSA-N 1 3 412.441 3.848 20 0 HHADHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1(C)C ZINC000442876048 985255517 /nfs/dbraw/zinc/25/55/17/985255517.db2.gz PERVQOMDZKYNAH-QGZVFWFLSA-N 1 3 400.792 3.705 20 0 HHADHO CN1CCN(CC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1(C)C ZINC000442876047 985256071 /nfs/dbraw/zinc/25/60/71/985256071.db2.gz PERVQOMDZKYNAH-KRWDZBQOSA-N 1 3 400.792 3.705 20 0 HHADHO C[C@H](N[C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044542 985703302 /nfs/dbraw/zinc/70/33/02/985703302.db2.gz JHICHVRCRIEISF-OXJNMPFZSA-N 1 3 421.632 3.706 20 0 HHADHO CC1CC[NH+](CCC[C@@H](NC[C@@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800509 985732827 /nfs/dbraw/zinc/73/28/27/985732827.db2.gz FTZNBUFUXOGPKO-DNQXCXABSA-N 1 3 403.586 3.832 20 0 HHADHO CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468153761 985825551 /nfs/dbraw/zinc/82/55/51/985825551.db2.gz MBLLQDXGZZAPAI-OAQYLSRUSA-N 1 3 408.537 3.664 20 0 HHADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccc(Br)cc1OCCCO ZINC000462966285 985911786 /nfs/dbraw/zinc/91/17/86/985911786.db2.gz NIANAZASCHCMLM-PIKADFDJSA-N 1 3 411.384 3.734 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026710 985985892 /nfs/dbraw/zinc/98/58/92/985985892.db2.gz BSGPBBOPBDCGSG-AREMUKBSSA-N 1 3 407.602 3.646 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000463026710 985985906 /nfs/dbraw/zinc/98/59/06/985985906.db2.gz BSGPBBOPBDCGSG-AREMUKBSSA-N 1 3 407.602 3.646 20 0 HHADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000468705950 986419570 /nfs/dbraw/zinc/41/95/70/986419570.db2.gz IKKIOOFOGBSVGB-UHFFFAOYSA-N 1 3 418.379 3.715 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000444544800 986733934 /nfs/dbraw/zinc/73/39/34/986733934.db2.gz KITZNMHYPXHDCY-UHFFFAOYSA-N 1 3 421.541 3.951 20 0 HHADHO Cc1nc(-c2ccccc2)sc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000444913760 987061012 /nfs/dbraw/zinc/06/10/12/987061012.db2.gz OYHNFIPPNOEAQI-UHFFFAOYSA-N 1 3 413.591 3.799 20 0 HHADHO COc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(OC)c1C(C)C ZINC000444920697 987068385 /nfs/dbraw/zinc/06/83/85/987068385.db2.gz GQBJKIRSXZFZBR-UHFFFAOYSA-N 1 3 418.582 3.507 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522180 987197811 /nfs/dbraw/zinc/19/78/11/987197811.db2.gz OSSKTXKJDNBDDQ-YADHBBJMSA-N 1 3 412.622 3.555 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC000469522180 987197821 /nfs/dbraw/zinc/19/78/21/987197821.db2.gz OSSKTXKJDNBDDQ-YADHBBJMSA-N 1 3 412.622 3.555 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000469985208 987601420 /nfs/dbraw/zinc/60/14/20/987601420.db2.gz MZPWMGNAHYUOID-UHFFFAOYSA-N 1 3 421.541 3.899 20 0 HHADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326971 988461264 /nfs/dbraw/zinc/46/12/64/988461264.db2.gz YOCVQDCEFHAEMP-IFMALSPDSA-N 1 3 423.523 3.822 20 0 HHADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326971 988461271 /nfs/dbraw/zinc/46/12/71/988461271.db2.gz YOCVQDCEFHAEMP-IFMALSPDSA-N 1 3 423.523 3.822 20 0 HHADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326973 988461761 /nfs/dbraw/zinc/46/17/61/988461761.db2.gz YOCVQDCEFHAEMP-RBBKRZOGSA-N 1 3 423.523 3.822 20 0 HHADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326973 988461765 /nfs/dbraw/zinc/46/17/65/988461765.db2.gz YOCVQDCEFHAEMP-RBBKRZOGSA-N 1 3 423.523 3.822 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548606 988726589 /nfs/dbraw/zinc/72/65/89/988726589.db2.gz KVAHSBDFLLUOMW-TZIWHRDSSA-N 1 3 411.512 3.631 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548606 988726593 /nfs/dbraw/zinc/72/65/93/988726593.db2.gz KVAHSBDFLLUOMW-TZIWHRDSSA-N 1 3 411.512 3.631 20 0 HHADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746102 988785828 /nfs/dbraw/zinc/78/58/28/988785828.db2.gz NBRJZGGTDAKGQS-DNQXCXABSA-N 1 3 406.574 3.567 20 0 HHADHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746102 988785840 /nfs/dbraw/zinc/78/58/40/988785840.db2.gz NBRJZGGTDAKGQS-DNQXCXABSA-N 1 3 406.574 3.567 20 0 HHADHO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000464752491 988973430 /nfs/dbraw/zinc/97/34/30/988973430.db2.gz QIXYUJPVERVANL-IBGZPJMESA-N 1 3 416.610 3.530 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)Cc3cccc(Cl)c3)CC2)CC1 ZINC000464820427 989058083 /nfs/dbraw/zinc/05/80/83/989058083.db2.gz WISJQHSINZWRSN-UHFFFAOYSA-N 1 3 421.029 3.767 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431776 989777870 /nfs/dbraw/zinc/77/78/70/989777870.db2.gz KGUOZWHJAHROQH-SJBKTWHCSA-N 1 3 412.603 3.705 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000465431776 989777877 /nfs/dbraw/zinc/77/78/77/989777877.db2.gz KGUOZWHJAHROQH-SJBKTWHCSA-N 1 3 412.603 3.705 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000465437836 989783142 /nfs/dbraw/zinc/78/31/42/989783142.db2.gz HNAATCGNIXEMLS-ZCYQVOJMSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000465437836 989783148 /nfs/dbraw/zinc/78/31/48/989783148.db2.gz HNAATCGNIXEMLS-ZCYQVOJMSA-N 1 3 420.601 3.987 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661975 989866343 /nfs/dbraw/zinc/86/63/43/989866343.db2.gz IPSYLKFDIQQPAB-QFIPXVFZSA-N 1 3 406.574 3.679 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000471661975 989866349 /nfs/dbraw/zinc/86/63/49/989866349.db2.gz IPSYLKFDIQQPAB-QFIPXVFZSA-N 1 3 406.574 3.679 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465611555 989996713 /nfs/dbraw/zinc/99/67/13/989996713.db2.gz VPLDRZOSUHFDOU-FCHUYYIVSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465611555 989996720 /nfs/dbraw/zinc/99/67/20/989996720.db2.gz VPLDRZOSUHFDOU-FCHUYYIVSA-N 1 3 400.611 3.947 20 0 HHADHO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465809099 990191263 /nfs/dbraw/zinc/19/12/63/990191263.db2.gz KEDOCUGQHYABJB-GCJKJVERSA-N 1 3 416.610 3.883 20 0 HHADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000465809795 990191939 /nfs/dbraw/zinc/19/19/39/990191939.db2.gz KKJKEXWXSSOYDQ-JOCHJYFZSA-N 1 3 400.611 3.601 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824629 990208173 /nfs/dbraw/zinc/20/81/73/990208173.db2.gz ZXVRZLWRABWGIO-UPVQGACJSA-N 1 3 408.590 3.761 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824629 990208183 /nfs/dbraw/zinc/20/81/83/990208183.db2.gz ZXVRZLWRABWGIO-UPVQGACJSA-N 1 3 408.590 3.761 20 0 HHADHO Cc1ccc2[nH]c(CNCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c1C ZINC000472046902 990214860 /nfs/dbraw/zinc/21/48/60/990214860.db2.gz HRDBHOKHDCWLKC-NRFANRHFSA-N 1 3 404.558 3.772 20 0 HHADHO Cc1ccc2[nH]c(CNCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c1C ZINC000472046902 990214873 /nfs/dbraw/zinc/21/48/73/990214873.db2.gz HRDBHOKHDCWLKC-NRFANRHFSA-N 1 3 404.558 3.772 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466530740 991829094 /nfs/dbraw/zinc/82/90/94/991829094.db2.gz RRIJTJXXWDPZBD-URXFXBBRSA-N 1 3 420.601 3.955 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466535602 991837276 /nfs/dbraw/zinc/83/72/76/991837276.db2.gz GSIPPHHJZFMKKV-GBXCKJPGSA-N 1 3 408.590 3.943 20 0 HHADHO Cc1ccc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468094 992760627 /nfs/dbraw/zinc/76/06/27/992760627.db2.gz QLLLDIWHNRNYLF-FPOVZHCZSA-N 1 3 410.562 3.720 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc2)CC1 ZINC000467543727 992823359 /nfs/dbraw/zinc/82/33/59/992823359.db2.gz QTOBBLATMHRLDW-NRFANRHFSA-N 1 3 420.601 3.784 20 0 HHADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Br)ccc1F ZINC000480733802 993599513 /nfs/dbraw/zinc/59/95/13/993599513.db2.gz PTNNUJLZHHLMQS-AWEZNQCLSA-N 1 3 407.331 3.586 20 0 HHADHO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Br)ccc1F ZINC000480733802 993599525 /nfs/dbraw/zinc/59/95/25/993599525.db2.gz PTNNUJLZHHLMQS-AWEZNQCLSA-N 1 3 407.331 3.586 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480775681 993640642 /nfs/dbraw/zinc/64/06/42/993640642.db2.gz PSWKYLJPPBTCAQ-NRFANRHFSA-N 1 3 421.589 3.592 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnccn1 ZINC000480783311 993650523 /nfs/dbraw/zinc/65/05/23/993650523.db2.gz ZNLOZNGYPOJLPB-QGZVFWFLSA-N 1 3 407.484 3.748 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000480794503 993663905 /nfs/dbraw/zinc/66/39/05/993663905.db2.gz SJVZZQPXSLNKSK-QPPBQGQZSA-N 1 3 412.622 3.646 20 0 HHADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906483 993762800 /nfs/dbraw/zinc/76/28/00/993762800.db2.gz BMDVODFWANFAOQ-RZFJZAQRSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906483 993762808 /nfs/dbraw/zinc/76/28/08/993762808.db2.gz BMDVODFWANFAOQ-RZFJZAQRSA-N 1 3 407.602 3.869 20 0 HHADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000481295223 994110710 /nfs/dbraw/zinc/11/07/10/994110710.db2.gz NYJBXZWCQBSVRX-SFHVURJKSA-N 1 3 403.592 3.630 20 0 HHADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423446 /nfs/dbraw/zinc/42/34/46/994423446.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423470 /nfs/dbraw/zinc/42/34/70/994423470.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c2)CCO1 ZINC000481582718 994423474 /nfs/dbraw/zinc/42/34/74/994423474.db2.gz PGBVNUZSKQKPSO-DRLORSAXSA-N 1 3 407.602 3.908 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000473805163 994731406 /nfs/dbraw/zinc/73/14/06/994731406.db2.gz HXXCCQIZYNDSCF-UHFFFAOYSA-N 1 3 415.626 3.804 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000473805163 994731416 /nfs/dbraw/zinc/73/14/16/994731416.db2.gz HXXCCQIZYNDSCF-UHFFFAOYSA-N 1 3 415.626 3.804 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCCC[NH+]3CCCCC3)c2)CC1 ZINC000473827634 994757950 /nfs/dbraw/zinc/75/79/50/994757950.db2.gz HNAAYXGWPJKSKQ-UHFFFAOYSA-N 1 3 401.599 3.606 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC000473835301 994769112 /nfs/dbraw/zinc/76/91/12/994769112.db2.gz JZEOZHJNRCTYRM-DEOSSOPVSA-N 1 3 421.589 3.615 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC000473835301 994769126 /nfs/dbraw/zinc/76/91/26/994769126.db2.gz JZEOZHJNRCTYRM-DEOSSOPVSA-N 1 3 421.589 3.615 20 0 HHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121226 995069462 /nfs/dbraw/zinc/06/94/62/995069462.db2.gz QOUXTZURKLHICX-YKSBVNFPSA-N 1 3 409.574 3.511 20 0 HHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647412 995642308 /nfs/dbraw/zinc/64/23/08/995642308.db2.gz AYUHKLAAYFGZAI-JXFKEZNVSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647412 995642313 /nfs/dbraw/zinc/64/23/13/995642313.db2.gz AYUHKLAAYFGZAI-JXFKEZNVSA-N 1 3 417.500 3.836 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878564 995812124 /nfs/dbraw/zinc/81/21/24/995812124.db2.gz UZQAYKPECRAALW-GGPKGHCWSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878564 995812135 /nfs/dbraw/zinc/81/21/35/995812135.db2.gz UZQAYKPECRAALW-GGPKGHCWSA-N 1 3 424.427 3.754 20 0 HHADHO CC[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCc2ccccc2C1 ZINC000475138408 995947549 /nfs/dbraw/zinc/94/75/49/995947549.db2.gz KQSNZQKETFPKCI-QHCPKHFHSA-N 1 3 412.622 3.920 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475145258 995952600 /nfs/dbraw/zinc/95/26/00/995952600.db2.gz KMPYXRYGGZWBIX-FUPPJEDESA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475145258 995952606 /nfs/dbraw/zinc/95/26/06/995952606.db2.gz KMPYXRYGGZWBIX-FUPPJEDESA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475165244 995964938 /nfs/dbraw/zinc/96/49/38/995964938.db2.gz RBKFCPYAKGNJDD-PKTZIBPZSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475165244 995964944 /nfs/dbraw/zinc/96/49/44/995964944.db2.gz RBKFCPYAKGNJDD-PKTZIBPZSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475177584 995974460 /nfs/dbraw/zinc/97/44/60/995974460.db2.gz ZHPSMHQFLDZSEB-JTHBVZDNSA-N 1 3 400.611 3.947 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475177584 995974468 /nfs/dbraw/zinc/97/44/68/995974468.db2.gz ZHPSMHQFLDZSEB-JTHBVZDNSA-N 1 3 400.611 3.947 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000483517206 996228233 /nfs/dbraw/zinc/22/82/33/996228233.db2.gz DRTYDHHXNRMKCN-HSZRJFAPSA-N 1 3 414.594 3.538 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488271 996810036 /nfs/dbraw/zinc/81/00/36/996810036.db2.gz UVZDEAJGKWNMBO-LMMKCTJWSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000484488271 996810048 /nfs/dbraw/zinc/81/00/48/996810048.db2.gz UVZDEAJGKWNMBO-LMMKCTJWSA-N 1 3 413.400 3.943 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000477313501 998001519 /nfs/dbraw/zinc/00/15/19/998001519.db2.gz GEFBDCHXRZHJSQ-NOTZXAQLSA-N 1 3 424.589 3.857 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000477313501 998001531 /nfs/dbraw/zinc/00/15/31/998001531.db2.gz GEFBDCHXRZHJSQ-NOTZXAQLSA-N 1 3 424.589 3.857 20 0 HHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000477523263 998243308 /nfs/dbraw/zinc/24/33/08/998243308.db2.gz JUYOEAPSNFLXSL-IBGZPJMESA-N 1 3 415.603 3.601 20 0 HHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000477523263 998243321 /nfs/dbraw/zinc/24/33/21/998243321.db2.gz JUYOEAPSNFLXSL-IBGZPJMESA-N 1 3 415.603 3.601 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111582 998558762 /nfs/dbraw/zinc/55/87/62/998558762.db2.gz RSJFWCVVKHAISS-WIYYLYMNSA-N 1 3 404.624 3.791 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111582 998558774 /nfs/dbraw/zinc/55/87/74/998558774.db2.gz RSJFWCVVKHAISS-WIYYLYMNSA-N 1 3 404.624 3.791 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000478185955 998810401 /nfs/dbraw/zinc/81/04/01/998810401.db2.gz XGOHUGWTABUJGR-HOTGVXAUSA-N 1 3 406.368 3.976 20 0 HHADHO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000478791384 999142661 /nfs/dbraw/zinc/14/26/61/999142661.db2.gz DJGSAJDEQWJWAT-NZQKXSOJSA-N 1 3 424.589 3.604 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830375 999164305 /nfs/dbraw/zinc/16/43/05/999164305.db2.gz KHKKYOGSWAONNX-SIKLNZKXSA-N 1 3 412.578 3.715 20 0 HHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479049642 999267162 /nfs/dbraw/zinc/26/71/62/999267162.db2.gz BDEGVPUQHRZMRE-LJQANCHMSA-N 1 3 422.411 3.704 20 0 HHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438984 999417620 /nfs/dbraw/zinc/41/76/20/999417620.db2.gz PIHZHTWHBWSRBI-NOZRDPDXSA-N 1 3 416.569 3.996 20 0 HHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438984 999417626 /nfs/dbraw/zinc/41/76/26/999417626.db2.gz PIHZHTWHBWSRBI-NOZRDPDXSA-N 1 3 416.569 3.996 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461066 999427515 /nfs/dbraw/zinc/42/75/15/999427515.db2.gz BESVVLJZTVNNRF-UYAOXDASSA-N 1 3 401.576 3.621 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461066 999427516 /nfs/dbraw/zinc/42/75/16/999427516.db2.gz BESVVLJZTVNNRF-UYAOXDASSA-N 1 3 401.576 3.621 20 0 HHADHO C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000479875532 999632819 /nfs/dbraw/zinc/63/28/19/999632819.db2.gz QZQDJTLDSAEBLE-IAGOWNOFSA-N 1 3 424.010 3.982 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229495 999726793 /nfs/dbraw/zinc/72/67/93/999726793.db2.gz YFGKMIRTNGDBOP-CMKODMSKSA-N 1 3 418.607 3.982 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229495 999726794 /nfs/dbraw/zinc/72/67/94/999726794.db2.gz YFGKMIRTNGDBOP-CMKODMSKSA-N 1 3 418.607 3.982 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480147512 999730645 /nfs/dbraw/zinc/73/06/45/999730645.db2.gz YNFZQRBGGOBBEE-LJQANCHMSA-N 1 3 415.603 3.774 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)c2ccccc21 ZINC000489274005 999734724 /nfs/dbraw/zinc/73/47/24/999734724.db2.gz BZTBWINOTDCXFY-KRWDZBQOSA-N 1 3 412.553 3.898 20 0 HHADHO C[C@@H]1CCC[C@](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000489293361 999738941 /nfs/dbraw/zinc/73/89/41/999738941.db2.gz FZIFZVGYADWJPI-YKSBVNFPSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480256636 999757545 /nfs/dbraw/zinc/75/75/45/999757545.db2.gz LJWBKWRTNAZCCL-LJQANCHMSA-N 1 3 413.587 3.673 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480450401 999802013 /nfs/dbraw/zinc/80/20/13/999802013.db2.gz UDHCIIUVDAUCBD-GOSISDBHSA-N 1 3 403.592 3.630 20 0 HHADHO C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695396 999861394 /nfs/dbraw/zinc/86/13/94/999861394.db2.gz JOSDBVHEBRKZET-AQNXPRMDSA-N 1 3 404.562 3.991 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173576 999904927 /nfs/dbraw/zinc/90/49/27/999904927.db2.gz WMTFQICKPOGSDZ-GCJKJVERSA-N 1 3 403.517 3.993 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000490981521 1000030349 /nfs/dbraw/zinc/03/03/49/1000030349.db2.gz YPGVIQXESNYQMG-UHFFFAOYSA-N 1 3 418.651 3.864 20 0 HHADHO Cc1ccc([C@@H](NCCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491002910 1000032735 /nfs/dbraw/zinc/03/27/35/1000032735.db2.gz DJLDJJBTRMMZGV-HSZRJFAPSA-N 1 3 400.588 3.809 20 0 HHADHO CC1CCN([C@@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c2ccccc2)CC1 ZINC000491446100 1000075636 /nfs/dbraw/zinc/07/56/36/1000075636.db2.gz KWQVGOCDUWAABM-QFIPXVFZSA-N 1 3 424.593 3.745 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(Br)c(Cl)c2)C1 ZINC000494191345 1000353161 /nfs/dbraw/zinc/35/31/61/1000353161.db2.gz INCWXHPECYAKEO-KRWDZBQOSA-N 1 3 409.755 3.959 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(Br)c(Cl)c2)C1 ZINC000494191345 1000353162 /nfs/dbraw/zinc/35/31/62/1000353162.db2.gz INCWXHPECYAKEO-KRWDZBQOSA-N 1 3 409.755 3.959 20 0 HHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504935348 1000457351 /nfs/dbraw/zinc/45/73/51/1000457351.db2.gz DULVKRARIFYMOU-DEOSSOPVSA-N 1 3 406.574 3.615 20 0 HHADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC000494566972 1000557390 /nfs/dbraw/zinc/55/73/90/1000557390.db2.gz XMKASADKIOLLDZ-XMMPIXPASA-N 1 3 409.549 3.773 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923574 1000732068 /nfs/dbraw/zinc/73/20/68/1000732068.db2.gz LYFZBCVZEVVLJW-WIOPSUGQSA-N 1 3 411.565 3.831 20 0 HHADHO Cc1noc(C2CCC([NH2+]CCCCN3CCN(Cc4ccccc4)CC3)CC2)n1 ZINC000494926695 1000733569 /nfs/dbraw/zinc/73/35/69/1000733569.db2.gz YSDUAPIUSDJVCT-UHFFFAOYSA-N 1 3 411.594 3.592 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(Cc2ccccc2)nc1C ZINC000505750771 1001005858 /nfs/dbraw/zinc/00/58/58/1001005858.db2.gz VFVJJMWWQSIOFV-FQEVSTJZSA-N 1 3 414.619 3.530 20 0 HHADHO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506017349 1001165282 /nfs/dbraw/zinc/16/52/82/1001165282.db2.gz KTIZSMUEZVOUBQ-GOSISDBHSA-N 1 3 407.986 3.800 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000497433903 1001362376 /nfs/dbraw/zinc/36/23/76/1001362376.db2.gz DUYUTTOBSRNAEO-GCJKJVERSA-N 1 3 412.578 3.727 20 0 HHADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662074 1001476467 /nfs/dbraw/zinc/47/64/67/1001476467.db2.gz YQUCHKBDAGNRRY-DNVJHFABSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662074 1001476471 /nfs/dbraw/zinc/47/64/71/1001476471.db2.gz YQUCHKBDAGNRRY-DNVJHFABSA-N 1 3 412.622 3.585 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793697 1001533461 /nfs/dbraw/zinc/53/34/61/1001533461.db2.gz BPQAATIPEMKSSA-QZNHQXDQSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793697 1001533465 /nfs/dbraw/zinc/53/34/65/1001533465.db2.gz BPQAATIPEMKSSA-QZNHQXDQSA-N 1 3 400.611 3.803 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694775 1002081579 /nfs/dbraw/zinc/08/15/79/1002081579.db2.gz MUJJAMOIVZRVSW-RDGATRHJSA-N 1 3 422.617 3.979 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694775 1002081588 /nfs/dbraw/zinc/08/15/88/1002081588.db2.gz MUJJAMOIVZRVSW-RDGATRHJSA-N 1 3 422.617 3.979 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707381 1002091252 /nfs/dbraw/zinc/09/12/52/1002091252.db2.gz SXPBGXJDCSFFKA-URXFXBBRSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707381 1002091266 /nfs/dbraw/zinc/09/12/66/1002091266.db2.gz SXPBGXJDCSFFKA-URXFXBBRSA-N 1 3 408.590 3.670 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)N1Cc2ccccc2C1 ZINC000507522681 1002131432 /nfs/dbraw/zinc/13/14/32/1002131432.db2.gz BNCIZNLPVSJOMA-ISJGIBHGSA-N 1 3 403.570 3.809 20 0 HHADHO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000507533032 1002141708 /nfs/dbraw/zinc/14/17/08/1002141708.db2.gz SSZGWOJWGVLPQG-ICDZXHCJSA-N 1 3 403.570 3.791 20 0 HHADHO C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221123 1002607136 /nfs/dbraw/zinc/60/71/36/1002607136.db2.gz CYASOIIQNAEJGW-IGSOQLKZSA-N 1 3 418.629 3.982 20 0 HHADHO C[C@@H](CN1CCN(c2ccccc2)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221123 1002607144 /nfs/dbraw/zinc/60/71/44/1002607144.db2.gz CYASOIIQNAEJGW-IGSOQLKZSA-N 1 3 418.629 3.982 20 0 HHADHO C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508722662 1003163980 /nfs/dbraw/zinc/16/39/80/1003163980.db2.gz YFYOKSXVKLUOTL-REWPJTCUSA-N 1 3 417.557 3.522 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccccc3OCc3ccccn3)CC2)C[C@@H](C)O1 ZINC000512188415 1004089039 /nfs/dbraw/zinc/08/90/39/1004089039.db2.gz YIAHCEXIYJFNKK-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512197134 1004097942 /nfs/dbraw/zinc/09/79/42/1004097942.db2.gz SJWRWXFIPBEAGZ-PMACEKPBSA-N 1 3 410.606 3.869 20 0 HHADHO C[C@@H](C(=O)N1CCSc2ccccc21)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501021604 1004123838 /nfs/dbraw/zinc/12/38/38/1004123838.db2.gz GRJVSGNUWSQIBX-SFHVURJKSA-N 1 3 410.587 3.757 20 0 HHADHO O=C(CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237996 1004140353 /nfs/dbraw/zinc/14/03/53/1004140353.db2.gz XLOGOLBTGNLTSN-XMMPIXPASA-N 1 3 411.977 3.944 20 0 HHADHO O=C(CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237996 1004140357 /nfs/dbraw/zinc/14/03/57/1004140357.db2.gz XLOGOLBTGNLTSN-XMMPIXPASA-N 1 3 411.977 3.944 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCCC[C@H]12 ZINC000501056031 1004158430 /nfs/dbraw/zinc/15/84/30/1004158430.db2.gz DKGAHEYMPLLLKL-FCUGFLGKSA-N 1 3 420.686 3.586 20 0 HHADHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCCC[C@H]12 ZINC000501056031 1004158437 /nfs/dbraw/zinc/15/84/37/1004158437.db2.gz DKGAHEYMPLLLKL-FCUGFLGKSA-N 1 3 420.686 3.586 20 0 HHADHO CC(C)CN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000512339705 1004227733 /nfs/dbraw/zinc/22/77/33/1004227733.db2.gz YZLQUDHXXOZQPS-NRFANRHFSA-N 1 3 407.549 3.723 20 0 HHADHO CC(C)[C@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000501187371 1004264806 /nfs/dbraw/zinc/26/48/06/1004264806.db2.gz MHAJFYUVSITZFT-QFIPXVFZSA-N 1 3 404.599 3.642 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000501363434 1004368552 /nfs/dbraw/zinc/36/85/52/1004368552.db2.gz OYYQOQXUWOFVGB-QEFHDYNCSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000501363434 1004368556 /nfs/dbraw/zinc/36/85/56/1004368556.db2.gz OYYQOQXUWOFVGB-QEFHDYNCSA-N 1 3 408.590 3.888 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)N2CCCC2)c1 ZINC000501402313 1004394577 /nfs/dbraw/zinc/39/45/77/1004394577.db2.gz YUHPFYIUJZUHFK-DHIUTWEWSA-N 1 3 416.610 3.642 20 0 HHADHO CCCCCC(=O)NC1CCN(Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000512586818 1004402622 /nfs/dbraw/zinc/40/26/22/1004402622.db2.gz LOEVUUXCLCAUBX-UHFFFAOYSA-N 1 3 414.638 3.880 20 0 HHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622784 1004436245 /nfs/dbraw/zinc/43/62/45/1004436245.db2.gz CCGPEGZDGYFEKD-QKDODKLFSA-N 1 3 419.613 3.909 20 0 HHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622784 1004436248 /nfs/dbraw/zinc/43/62/48/1004436248.db2.gz CCGPEGZDGYFEKD-QKDODKLFSA-N 1 3 419.613 3.909 20 0 HHADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646765 1004458102 /nfs/dbraw/zinc/45/81/02/1004458102.db2.gz CYLLCBQCUGMHRY-ISJGIBHGSA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)n1 ZINC000512646765 1004458106 /nfs/dbraw/zinc/45/81/06/1004458106.db2.gz CYLLCBQCUGMHRY-ISJGIBHGSA-N 1 3 401.558 3.717 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)nc(C)n1 ZINC000512646885 1004458368 /nfs/dbraw/zinc/45/83/68/1004458368.db2.gz DXVFLLNVKUKELA-PZUNEJSGSA-N 1 3 419.617 3.953 20 0 HHADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512661846 1004473194 /nfs/dbraw/zinc/47/31/94/1004473194.db2.gz USGQVUBHTVRHEZ-DNVJHFABSA-N 1 3 419.569 3.692 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525343 1004654679 /nfs/dbraw/zinc/65/46/79/1004654679.db2.gz MWAPZZQVBROGHV-JZWVFAODSA-N 1 3 400.611 3.804 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525343 1004654682 /nfs/dbraw/zinc/65/46/82/1004654682.db2.gz MWAPZZQVBROGHV-JZWVFAODSA-N 1 3 400.611 3.804 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000512911765 1004682489 /nfs/dbraw/zinc/68/24/89/1004682489.db2.gz JWTWDSAGJHRKIT-GGAORHGYSA-N 1 3 416.610 3.736 20 0 HHADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501784848 1004725931 /nfs/dbraw/zinc/72/59/31/1004725931.db2.gz JJIBRUJHQCRJSQ-QHCPKHFHSA-N 1 3 401.595 3.803 20 0 HHADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000510731092 1004821757 /nfs/dbraw/zinc/82/17/57/1004821757.db2.gz FJZDAIDXBVQNSK-SFHVURJKSA-N 1 3 415.528 3.901 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000513368981 1004929609 /nfs/dbraw/zinc/92/96/09/1004929609.db2.gz BYOLPNUIQHYKBE-HSZRJFAPSA-N 1 3 400.611 3.758 20 0 HHADHO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000510942857 1004946506 /nfs/dbraw/zinc/94/65/06/1004946506.db2.gz COFSSEYCCZCXJR-XDZVQPMWSA-N 1 3 417.597 3.720 20 0 HHADHO CN(Cc1cn(C)nc1-c1ccccc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000513516496 1005000861 /nfs/dbraw/zinc/00/08/61/1005000861.db2.gz XJTJEQGKBGJCMN-UHFFFAOYSA-N 1 3 412.969 3.533 20 0 HHADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232953 1005084690 /nfs/dbraw/zinc/08/46/90/1005084690.db2.gz XBHDZXPFOXXHAW-JBACZVJFSA-N 1 3 401.570 3.807 20 0 HHADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232953 1005084693 /nfs/dbraw/zinc/08/46/93/1005084693.db2.gz XBHDZXPFOXXHAW-JBACZVJFSA-N 1 3 401.570 3.807 20 0 HHADHO COC(=O)c1csc([C@@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000513712413 1005092435 /nfs/dbraw/zinc/09/24/35/1005092435.db2.gz BZCDOFLWUCRCJA-GOSISDBHSA-N 1 3 401.576 3.788 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)NCC3(N4CCSCC4)CCCC3)CC2)CC1 ZINC000502774057 1005211699 /nfs/dbraw/zinc/21/16/99/1005211699.db2.gz YFGRHCCHKXMEHH-UHFFFAOYSA-N 1 3 422.683 3.690 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000502829077 1005235450 /nfs/dbraw/zinc/23/54/50/1005235450.db2.gz PVEPKWSZWMDKCZ-XPNTWCBSSA-N 1 3 400.611 3.708 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033132 1005236387 /nfs/dbraw/zinc/23/63/87/1005236387.db2.gz QBBHZJQDZQABDO-YKSBVNFPSA-N 1 3 406.574 3.917 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110340 1005269992 /nfs/dbraw/zinc/26/99/92/1005269992.db2.gz CSAILVJYNNHGPI-OQLXKQOESA-N 1 3 400.611 3.879 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110340 1005269994 /nfs/dbraw/zinc/26/99/94/1005269994.db2.gz CSAILVJYNNHGPI-OQLXKQOESA-N 1 3 400.611 3.879 20 0 HHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1 ZINC000502946550 1005287274 /nfs/dbraw/zinc/28/72/74/1005287274.db2.gz BKOJEFPLVSULFB-FQEVSTJZSA-N 1 3 408.590 3.863 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC000511773322 1005318843 /nfs/dbraw/zinc/31/88/43/1005318843.db2.gz AZKYQZBYXZNPID-UHFFFAOYSA-N 1 3 421.589 3.615 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)N(C)C)cc1 ZINC000503349637 1005395632 /nfs/dbraw/zinc/39/56/32/1005395632.db2.gz WJZFASCUDPGJFX-GMAHTHKFSA-N 1 3 400.611 3.895 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)CC1 ZINC000503386841 1005404913 /nfs/dbraw/zinc/40/49/13/1005404913.db2.gz FIXGWJOGDXQWKX-ISKFKSNPSA-N 1 3 412.622 3.977 20 0 HHADHO CCCN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000503735759 1005487287 /nfs/dbraw/zinc/48/72/87/1005487287.db2.gz AAFLJICUELCBCW-HSZRJFAPSA-N 1 3 400.611 3.805 20 0 HHADHO CN1CCN(C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838591 1006166909 /nfs/dbraw/zinc/16/69/09/1006166909.db2.gz TWAGAKALPBWRTG-XUJYPJAKSA-N 1 3 418.629 3.760 20 0 HHADHO CN1CCN(C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838591 1006166918 /nfs/dbraw/zinc/16/69/18/1006166918.db2.gz TWAGAKALPBWRTG-XUJYPJAKSA-N 1 3 418.629 3.760 20 0 HHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000531703909 1006366583 /nfs/dbraw/zinc/36/65/83/1006366583.db2.gz JMLOIMXVBCKKHL-MRXNPFEDSA-N 1 3 413.484 3.657 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448944 1006430392 /nfs/dbraw/zinc/43/03/92/1006430392.db2.gz YILIMHZIGDSINC-DNQXCXABSA-N 1 3 412.622 3.833 20 0 HHADHO CCCOc1c(Cl)cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532016086 1006577858 /nfs/dbraw/zinc/57/78/58/1006577858.db2.gz PLGJROULZYIOEY-PMACEKPBSA-N 1 3 410.986 3.995 20 0 HHADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000532201549 1006718100 /nfs/dbraw/zinc/71/81/00/1006718100.db2.gz NTLYNKOOEWRDHL-GOSISDBHSA-N 1 3 401.576 3.895 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3C[C@@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233227 1006964832 /nfs/dbraw/zinc/96/48/32/1006964832.db2.gz RGZXZBSBIAUKNP-IRFCIJBXSA-N 1 3 415.626 3.625 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000538734956 1007016042 /nfs/dbraw/zinc/01/60/42/1007016042.db2.gz OPTWPMVHUXPZRA-VMPITWQZSA-N 1 3 409.549 3.799 20 0 HHADHO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532635573 1007055266 /nfs/dbraw/zinc/05/52/66/1007055266.db2.gz URMUAJCLSHXFBK-JOCHJYFZSA-N 1 3 422.573 3.797 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089647 1007102943 /nfs/dbraw/zinc/10/29/43/1007102943.db2.gz STPMTWGKKNIADQ-GPXOXTDOSA-N 1 3 421.585 3.641 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](C[C@H]3CCOC3)c3ccccc3)c2)C1 ZINC000535089647 1007102965 /nfs/dbraw/zinc/10/29/65/1007102965.db2.gz STPMTWGKKNIADQ-GPXOXTDOSA-N 1 3 421.585 3.641 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000516578132 1007163708 /nfs/dbraw/zinc/16/37/08/1007163708.db2.gz OOIXDRCNWYHVNC-OFNKIYASSA-N 1 3 400.611 3.975 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000516578132 1007163715 /nfs/dbraw/zinc/16/37/15/1007163715.db2.gz OOIXDRCNWYHVNC-OFNKIYASSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945856 1007230250 /nfs/dbraw/zinc/23/02/50/1007230250.db2.gz SOBMSVJMWPDGDE-MRXNPFEDSA-N 1 3 402.489 3.925 20 0 HHADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000539063774 1007356255 /nfs/dbraw/zinc/35/62/55/1007356255.db2.gz VDGFOCYQJKBFTG-GDIGMMSISA-N 1 3 411.384 3.876 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535366296 1007424330 /nfs/dbraw/zinc/42/43/30/1007424330.db2.gz KBUOICXHIFAPEO-OYYPCOLYSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000535366296 1007424337 /nfs/dbraw/zinc/42/43/37/1007424337.db2.gz KBUOICXHIFAPEO-OYYPCOLYSA-N 1 3 406.574 3.642 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399052 1007464592 /nfs/dbraw/zinc/46/45/92/1007464592.db2.gz UZMIPCXSXSSPDV-UGESXGAOSA-N 1 3 412.603 3.876 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399052 1007464607 /nfs/dbraw/zinc/46/46/07/1007464607.db2.gz UZMIPCXSXSSPDV-UGESXGAOSA-N 1 3 412.603 3.876 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCc1ccn(-c3ccccc3)n1)c1ccccc1O2 ZINC000539363467 1007666786 /nfs/dbraw/zinc/66/67/86/1007666786.db2.gz NIESQHVYVVGOIK-QHCPKHFHSA-N 1 3 402.542 3.993 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653462 1007866443 /nfs/dbraw/zinc/86/64/43/1007866443.db2.gz UYLAGFOJBAEKGY-ISKFKSNPSA-N 1 3 420.601 3.541 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653462 1007866470 /nfs/dbraw/zinc/86/64/70/1007866470.db2.gz UYLAGFOJBAEKGY-ISKFKSNPSA-N 1 3 420.601 3.541 20 0 HHADHO CCN1CCN(Cc2ccc(N[C@@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000539636687 1007953051 /nfs/dbraw/zinc/95/30/51/1007953051.db2.gz HKQAYIUIWUHOSL-NRFANRHFSA-N 1 3 410.606 3.938 20 0 HHADHO COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000539832705 1008125958 /nfs/dbraw/zinc/12/59/58/1008125958.db2.gz ZOIZYIUFUGCTLV-RUZDIDTESA-N 1 3 424.589 3.551 20 0 HHADHO COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000539832705 1008125961 /nfs/dbraw/zinc/12/59/61/1008125961.db2.gz ZOIZYIUFUGCTLV-RUZDIDTESA-N 1 3 424.589 3.551 20 0 HHADHO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539863343 1008148400 /nfs/dbraw/zinc/14/84/00/1008148400.db2.gz WLYUYFRYZFPLIV-OALUTQOASA-N 1 3 412.578 3.797 20 0 HHADHO C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CCN(C)CC1 ZINC000539886767 1008162624 /nfs/dbraw/zinc/16/26/24/1008162624.db2.gz OCBQCVVSOHCIIJ-MAODMQOUSA-N 1 3 406.412 3.784 20 0 HHADHO C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CCN(C)CC1 ZINC000539886767 1008162627 /nfs/dbraw/zinc/16/26/27/1008162627.db2.gz OCBQCVVSOHCIIJ-MAODMQOUSA-N 1 3 406.412 3.784 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955806 1008231852 /nfs/dbraw/zinc/23/18/52/1008231852.db2.gz SPJBNXJAAXXMKO-KMDXXIMOSA-N 1 3 422.573 3.577 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955806 1008231855 /nfs/dbraw/zinc/23/18/55/1008231855.db2.gz SPJBNXJAAXXMKO-KMDXXIMOSA-N 1 3 422.573 3.577 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955805 1008231919 /nfs/dbraw/zinc/23/19/19/1008231919.db2.gz SPJBNXJAAXXMKO-HJOGWXRNSA-N 1 3 422.573 3.577 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955805 1008231921 /nfs/dbraw/zinc/23/19/21/1008231921.db2.gz SPJBNXJAAXXMKO-HJOGWXRNSA-N 1 3 422.573 3.577 20 0 HHADHO COc1ccc(C)cc1NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045057 1008254267 /nfs/dbraw/zinc/25/42/67/1008254267.db2.gz AVMQTXYASWZQKF-IBGZPJMESA-N 1 3 410.562 3.964 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000518402430 1008289935 /nfs/dbraw/zinc/28/99/35/1008289935.db2.gz AHLYVVHASLTQBC-RTBURBONSA-N 1 3 404.599 3.642 20 0 HHADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000518573422 1008351263 /nfs/dbraw/zinc/35/12/63/1008351263.db2.gz POLVOUQPXFGGGG-JTHBVZDNSA-N 1 3 421.585 3.922 20 0 HHADHO Cc1ccccc1[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCC(C)CC1 ZINC000543014942 1008592787 /nfs/dbraw/zinc/59/27/87/1008592787.db2.gz OWABGUGYBWDKBT-LQOCYXTFSA-N 1 3 401.639 3.842 20 0 HHADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000543161236 1008734528 /nfs/dbraw/zinc/73/45/28/1008734528.db2.gz VSAUQSKRCZKTCR-DEOSSOPVSA-N 1 3 405.517 3.741 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000520129798 1009282887 /nfs/dbraw/zinc/28/28/87/1009282887.db2.gz TTYDHAVKXAGYAJ-OALUTQOASA-N 1 3 424.580 3.796 20 0 HHADHO C[C@@H]1CCC[C@](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130477 1009284182 /nfs/dbraw/zinc/28/41/82/1009284182.db2.gz HBYNKFXKCIUKKT-VGSWGCGISA-N 1 3 410.553 3.549 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000543993218 1009592261 /nfs/dbraw/zinc/59/22/61/1009592261.db2.gz WGSBURPUYUVNPJ-RRQGHBQHSA-N 1 3 409.596 3.721 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000543993218 1009592270 /nfs/dbraw/zinc/59/22/70/1009592270.db2.gz WGSBURPUYUVNPJ-RRQGHBQHSA-N 1 3 409.596 3.721 20 0 HHADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000543993295 1009592388 /nfs/dbraw/zinc/59/23/88/1009592388.db2.gz VZNJJICWOORZOM-AWEZNQCLSA-N 1 3 409.596 3.723 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000543998237 1009599245 /nfs/dbraw/zinc/59/92/45/1009599245.db2.gz PDUWOMXHFMVCAC-ROUUACIJSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000543998237 1009599260 /nfs/dbraw/zinc/59/92/60/1009599260.db2.gz PDUWOMXHFMVCAC-ROUUACIJSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000543998237 1009599274 /nfs/dbraw/zinc/59/92/74/1009599274.db2.gz PDUWOMXHFMVCAC-ROUUACIJSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105656 1009704914 /nfs/dbraw/zinc/70/49/14/1009704914.db2.gz QNKREZHGSOICSJ-SXPAWZJZSA-N 1 3 421.560 3.942 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000550105656 1009704925 /nfs/dbraw/zinc/70/49/25/1009704925.db2.gz QNKREZHGSOICSJ-SXPAWZJZSA-N 1 3 421.560 3.942 20 0 HHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546873446 1009834842 /nfs/dbraw/zinc/83/48/42/1009834842.db2.gz XGQFJWYAYVOGAD-QFIPXVFZSA-N 1 3 414.981 3.551 20 0 HHADHO Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000546933996 1009893786 /nfs/dbraw/zinc/89/37/86/1009893786.db2.gz IDURLTIMNVCQKD-VQTJNVASSA-N 1 3 417.619 3.945 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521071104 1010088085 /nfs/dbraw/zinc/08/80/85/1010088085.db2.gz MMRZWTGENKLUPK-NRFANRHFSA-N 1 3 410.553 3.549 20 0 HHADHO c1ccc([C@H](NCCCC[NH+]2CCN(c3ccccc3)CC2)c2cncnc2)cc1 ZINC000544566033 1010195334 /nfs/dbraw/zinc/19/53/34/1010195334.db2.gz SDXPXRWNQXYPQS-VWLOTQADSA-N 1 3 401.558 3.758 20 0 HHADHO CS(=O)(=O)C[C@@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000550997733 1010307548 /nfs/dbraw/zinc/30/75/48/1010307548.db2.gz PEHYHLFWTXZYIS-XMMPIXPASA-N 1 3 412.599 3.862 20 0 HHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000544897929 1010473711 /nfs/dbraw/zinc/47/37/11/1010473711.db2.gz ILRFUGOGKNIIQS-IBGZPJMESA-N 1 3 407.624 3.634 20 0 HHADHO CCN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548441714 1010628190 /nfs/dbraw/zinc/62/81/90/1010628190.db2.gz MQCFVPGTKFKVKO-VWLOTQADSA-N 1 3 420.601 3.957 20 0 HHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000521826689 1010642717 /nfs/dbraw/zinc/64/27/17/1010642717.db2.gz LDQQZUYFGMOHDA-UHFFFAOYSA-N 1 3 415.585 3.831 20 0 HHADHO C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000522048169 1010777623 /nfs/dbraw/zinc/77/76/23/1010777623.db2.gz FNFLEWZGOZIFGT-NRFANRHFSA-N 1 3 408.590 3.513 20 0 HHADHO C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522401906 1010983635 /nfs/dbraw/zinc/98/36/35/1010983635.db2.gz QPOJJOJKSSBJDN-LJQANCHMSA-N 1 3 400.611 3.601 20 0 HHADHO CCCN(C(=O)NC[C@H]1CC[N@H+](CCC)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522433684 1011009430 /nfs/dbraw/zinc/00/94/30/1011009430.db2.gz CRHMHDWCOHYXGD-PKTZIBPZSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](CCC)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522433684 1011009441 /nfs/dbraw/zinc/00/94/41/1011009441.db2.gz CRHMHDWCOHYXGD-PKTZIBPZSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606337 1011259296 /nfs/dbraw/zinc/25/92/96/1011259296.db2.gz NTGJWBXNAYZBRE-GOSISDBHSA-N 1 3 405.608 3.600 20 0 HHADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606337 1011259310 /nfs/dbraw/zinc/25/93/10/1011259310.db2.gz NTGJWBXNAYZBRE-GOSISDBHSA-N 1 3 405.608 3.600 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536192735 1011333156 /nfs/dbraw/zinc/33/31/56/1011333156.db2.gz OZOWKQNMQDGAFC-XWGVYQGASA-N 1 3 406.574 3.595 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536192735 1011333171 /nfs/dbraw/zinc/33/31/71/1011333171.db2.gz OZOWKQNMQDGAFC-XWGVYQGASA-N 1 3 406.574 3.595 20 0 HHADHO COc1cc2c(cc1CN(C)CCC1CC[NH+](C3CCN(C)CC3)CC1)O[C@@H](C)C2 ZINC000536667082 1011819977 /nfs/dbraw/zinc/81/99/77/1011819977.db2.gz YSOJKLBPXFIOSC-IBGZPJMESA-N 1 3 415.622 3.647 20 0 HHADHO Cc1ccc(CN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C2CC2)o1 ZINC000536713847 1011886778 /nfs/dbraw/zinc/88/67/78/1011886778.db2.gz RDWQZQQXUXTVRL-UHFFFAOYSA-N 1 3 410.562 3.713 20 0 HHADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552150315 1012171804 /nfs/dbraw/zinc/17/18/04/1012171804.db2.gz WERYDKDWOQWGGN-UHFFFAOYSA-N 1 3 414.553 3.796 20 0 HHADHO CC[N@H+](CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1)CC(C)C ZINC000536927214 1012212645 /nfs/dbraw/zinc/21/26/45/1012212645.db2.gz ZGUJSQUHNPKENX-UHFFFAOYSA-N 1 3 407.643 3.628 20 0 HHADHO CC[N@@H+](CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1)CC(C)C ZINC000536927214 1012212661 /nfs/dbraw/zinc/21/26/61/1012212661.db2.gz ZGUJSQUHNPKENX-UHFFFAOYSA-N 1 3 407.643 3.628 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949332 1012251124 /nfs/dbraw/zinc/25/11/24/1012251124.db2.gz YNRBPHICYLLOFQ-SFHVURJKSA-N 1 3 415.603 3.949 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949332 1012251137 /nfs/dbraw/zinc/25/11/37/1012251137.db2.gz YNRBPHICYLLOFQ-SFHVURJKSA-N 1 3 415.603 3.949 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365595 1012375627 /nfs/dbraw/zinc/37/56/27/1012375627.db2.gz JXMKCBCKCLRFQL-HJNYFJLDSA-N 1 3 417.544 3.619 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000552365595 1012375645 /nfs/dbraw/zinc/37/56/45/1012375645.db2.gz JXMKCBCKCLRFQL-HJNYFJLDSA-N 1 3 417.544 3.619 20 0 HHADHO C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552420893 1012437444 /nfs/dbraw/zinc/43/74/44/1012437444.db2.gz YAOFOFDUAIEQIW-RCZSKKKRSA-N 1 3 419.560 3.913 20 0 HHADHO C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420893 1012437457 /nfs/dbraw/zinc/43/74/57/1012437457.db2.gz YAOFOFDUAIEQIW-RCZSKKKRSA-N 1 3 419.560 3.913 20 0 HHADHO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3cccc(CN(C)C)c3)cc2)C[C@H]1C ZINC000537169369 1012572603 /nfs/dbraw/zinc/57/26/03/1012572603.db2.gz ACDVBRGYPWISSK-OYRHEFFESA-N 1 3 423.601 3.687 20 0 HHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3cccc(CN(C)C)c3)cc2)C[C@H]1C ZINC000537169369 1012572614 /nfs/dbraw/zinc/57/26/14/1012572614.db2.gz ACDVBRGYPWISSK-OYRHEFFESA-N 1 3 423.601 3.687 20 0 HHADHO COc1ccc([C@H](C)C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000537205160 1012626621 /nfs/dbraw/zinc/62/66/21/1012626621.db2.gz WVFJDXJXTQUSOR-OAQYLSRUSA-N 1 3 423.601 3.759 20 0 HHADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000541928660 1012789256 /nfs/dbraw/zinc/78/92/56/1012789256.db2.gz AZRJDBVARVRCDE-UHFFFAOYSA-N 1 3 419.635 3.535 20 0 HHADHO c1ccc(CN(Cc2ccccc2)C2(C[NH2+]C3CCN(CC4CC4)CC3)COC2)cc1 ZINC001168355966 1072600015 /nfs/dbraw/zinc/60/00/15/1072600015.db2.gz GWZSBQCOTXSIEX-UHFFFAOYSA-N 1 3 419.613 3.922 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1)C(C)C ZINC000588656448 1073105136 /nfs/dbraw/zinc/10/51/36/1073105136.db2.gz NZEMIPKYWGNINM-NHCUHLMSSA-N 1 3 415.622 3.878 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1)C(C)C ZINC000588656448 1073105140 /nfs/dbraw/zinc/10/51/40/1073105140.db2.gz NZEMIPKYWGNINM-NHCUHLMSSA-N 1 3 415.622 3.878 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657057 1073105236 /nfs/dbraw/zinc/10/52/36/1073105236.db2.gz SILXNGFYVFWMAH-OYRHEFFESA-N 1 3 415.622 3.880 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657057 1073105240 /nfs/dbraw/zinc/10/52/40/1073105240.db2.gz SILXNGFYVFWMAH-OYRHEFFESA-N 1 3 415.622 3.880 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228031 1073273434 /nfs/dbraw/zinc/27/34/34/1073273434.db2.gz TVQONZCHQHWFSI-HGSOSGBHSA-N 1 3 402.579 3.895 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@H](C)C1 ZINC000555228031 1073273438 /nfs/dbraw/zinc/27/34/38/1073273438.db2.gz TVQONZCHQHWFSI-HGSOSGBHSA-N 1 3 402.579 3.895 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555335593 1073360776 /nfs/dbraw/zinc/36/07/76/1073360776.db2.gz PYNFJJIFJKXKIH-RTBURBONSA-N 1 3 411.594 3.595 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555335593 1073360782 /nfs/dbraw/zinc/36/07/82/1073360782.db2.gz PYNFJJIFJKXKIH-RTBURBONSA-N 1 3 411.594 3.595 20 0 HHADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417712 1073452062 /nfs/dbraw/zinc/45/20/62/1073452062.db2.gz ISYVVWINPRWYRT-CVDCTZTESA-N 1 3 419.585 3.558 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417712 1073452065 /nfs/dbraw/zinc/45/20/65/1073452065.db2.gz ISYVVWINPRWYRT-CVDCTZTESA-N 1 3 419.585 3.558 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000591092150 1074107250 /nfs/dbraw/zinc/10/72/50/1074107250.db2.gz HMXSHCSLIGSPKC-NFBKMPQASA-N 1 3 409.574 3.973 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000591092150 1074107254 /nfs/dbraw/zinc/10/72/54/1074107254.db2.gz HMXSHCSLIGSPKC-NFBKMPQASA-N 1 3 409.574 3.973 20 0 HHADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000592490623 1074770088 /nfs/dbraw/zinc/77/00/88/1074770088.db2.gz VWPSFNWHHKZOGH-GOSISDBHSA-N 1 3 407.002 3.583 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000592490623 1074770097 /nfs/dbraw/zinc/77/00/97/1074770097.db2.gz VWPSFNWHHKZOGH-GOSISDBHSA-N 1 3 407.002 3.583 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000593500114 1075204742 /nfs/dbraw/zinc/20/47/42/1075204742.db2.gz MVZWIMRFCNLXQI-QFIPXVFZSA-N 1 3 410.562 3.803 20 0 HHADHO Fc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164656429 719297156 /nfs/dbraw/zinc/29/71/56/719297156.db2.gz XHKLKXFRCRMWFF-ISKFKSNPSA-N 1 3 410.537 3.866 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020639 721826285 /nfs/dbraw/zinc/82/62/85/721826285.db2.gz CYHRQCLVFOMJBA-OYDLWJJNSA-N 1 3 405.590 3.808 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001165020639 721826287 /nfs/dbraw/zinc/82/62/87/721826287.db2.gz CYHRQCLVFOMJBA-OYDLWJJNSA-N 1 3 405.590 3.808 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CCC([N@H+](C)CCCO)CC2)c1C ZINC000301386021 970900036 /nfs/dbraw/zinc/90/00/36/970900036.db2.gz CMOPZNSDTCMHFH-UHFFFAOYSA-N 1 3 406.368 3.897 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CCC([N@@H+](C)CCCO)CC2)c1C ZINC000301386021 970900048 /nfs/dbraw/zinc/90/00/48/970900048.db2.gz CMOPZNSDTCMHFH-UHFFFAOYSA-N 1 3 406.368 3.897 20 0 HHADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000303078960 971492170 /nfs/dbraw/zinc/49/21/70/971492170.db2.gz SURYOJTUOKFRSE-VWNXMTODSA-N 1 3 409.549 3.991 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)Cc1ccccc1 ZINC000303451304 971750770 /nfs/dbraw/zinc/75/07/70/971750770.db2.gz IQLHWWTUXUDITK-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO CN(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489756 971788647 /nfs/dbraw/zinc/78/86/47/971788647.db2.gz RXRUYQBJRURVML-UCBGAZFYSA-N 1 3 406.574 3.784 20 0 HHADHO CN(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000303489756 971788649 /nfs/dbraw/zinc/78/86/49/971788649.db2.gz RXRUYQBJRURVML-UCBGAZFYSA-N 1 3 406.574 3.784 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000537622601 1013170971 /nfs/dbraw/zinc/17/09/71/1013170971.db2.gz DKUBGQPSPXSMNS-XMMPIXPASA-N 1 3 415.622 3.769 20 0 HHADHO Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c(OCC[NH+](C)C)c1 ZINC000303844287 972381753 /nfs/dbraw/zinc/38/17/53/972381753.db2.gz TVSSHUCVWUVMDV-UHFFFAOYSA-N 1 3 410.562 3.675 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(Cl)s1 ZINC000537843481 1013405212 /nfs/dbraw/zinc/40/52/12/1013405212.db2.gz SEJLORNHNDYZCG-UHFFFAOYSA-N 1 3 406.983 3.651 20 0 HHADHO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843546 1013406549 /nfs/dbraw/zinc/40/65/49/1013406549.db2.gz ADHVXYKWUQUWAQ-VQTJNVASSA-N 1 3 424.589 3.894 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OCC4CCCCC4)cc3)CC2)CC1 ZINC000050797100 964399741 /nfs/dbraw/zinc/39/97/41/964399741.db2.gz AZCKSNICVXHJLR-UHFFFAOYSA-N 1 3 413.606 3.934 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)CC2)CC1 ZINC000050800354 964402124 /nfs/dbraw/zinc/40/21/24/964402124.db2.gz NXZSBGWLEPBZTG-UHFFFAOYSA-N 1 3 411.521 3.906 20 0 HHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959356 1013538455 /nfs/dbraw/zinc/53/84/55/1013538455.db2.gz DAEYYKAJIGMUEL-VAMGGRTRSA-N 1 3 411.359 3.933 20 0 HHADHO Cc1c([C@H](C)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969026 1013545972 /nfs/dbraw/zinc/54/59/72/1013545972.db2.gz IQOAYOLLSNPHOK-ZACQAIPSSA-N 1 3 405.974 3.769 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000061551047 966498112 /nfs/dbraw/zinc/49/81/12/966498112.db2.gz NGHQQCCEGXSPFB-UHFFFAOYSA-N 1 3 418.651 3.689 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000062252887 966632231 /nfs/dbraw/zinc/63/22/31/966632231.db2.gz DZQOYDMHMVTMKY-IRXDYDNUSA-N 1 3 410.484 3.870 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000062499841 966692594 /nfs/dbraw/zinc/69/25/94/966692594.db2.gz VGTSZPSLMOSVNJ-CVDCTZTESA-N 1 3 412.553 3.734 20 0 HHADHO C[C@H]1CCC[C@](CNC(=S)NC2CCN(Cc3ccccc3)CC2)([NH+](C)C)C1 ZINC000063150563 966763971 /nfs/dbraw/zinc/76/39/71/966763971.db2.gz HYPQSBUXADCPEV-CVDCTZTESA-N 1 3 402.652 3.626 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944219 1013714697 /nfs/dbraw/zinc/71/46/97/1013714697.db2.gz BSAFTAIEFDSPOU-NZQKXSOJSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944219 1013714706 /nfs/dbraw/zinc/71/47/06/1013714706.db2.gz BSAFTAIEFDSPOU-NZQKXSOJSA-N 1 3 412.578 3.654 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)CC1 ZINC000065742574 968620772 /nfs/dbraw/zinc/62/07/72/968620772.db2.gz ZQOVDESDXGEALT-VWLOTQADSA-N 1 3 420.601 3.784 20 0 HHADHO CC(C)C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110153779 969630863 /nfs/dbraw/zinc/63/08/63/969630863.db2.gz FNVRYGICEIRJQR-OAQYLSRUSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000110152493 969630911 /nfs/dbraw/zinc/63/09/11/969630911.db2.gz LXSOISMOVMSBSX-NQIIRXRSSA-N 1 3 411.512 3.678 20 0 HHADHO CC(C)C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110153777 969631061 /nfs/dbraw/zinc/63/10/61/969631061.db2.gz FNVRYGICEIRJQR-NRFANRHFSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000110434857 969667580 /nfs/dbraw/zinc/66/75/80/969667580.db2.gz HLHJILOOAZETOR-IAGOWNOFSA-N 1 3 411.384 3.649 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)C[C@H](C)O1 ZINC000112664903 969822799 /nfs/dbraw/zinc/82/27/99/969822799.db2.gz JIFVIOJYTQDNKK-CALCHBBNSA-N 1 3 418.969 3.754 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)O1 ZINC000195719216 969979185 /nfs/dbraw/zinc/97/91/85/969979185.db2.gz BYFQYIGDUPYKSE-IRXDYDNUSA-N 1 3 421.383 3.614 20 0 HHADHO COc1cccc(CN2CCC(NC(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000139332951 970029944 /nfs/dbraw/zinc/02/99/44/970029944.db2.gz UXPPBDOBDOFOPP-UHFFFAOYSA-N 1 3 407.558 3.685 20 0 HHADHO C[NH+]1CCN(c2cc(CNCc3ccc(-c4nc5ccccc5s4)o3)ccn2)CC1 ZINC000237121557 970226405 /nfs/dbraw/zinc/22/64/05/970226405.db2.gz NGVQVJKTJLWOTO-UHFFFAOYSA-N 1 3 419.554 3.993 20 0 HHADHO CN1CCN(c2cc(C[NH2+]Cc3ccc(-c4nc5ccccc5s4)o3)ccn2)CC1 ZINC000237121557 970226409 /nfs/dbraw/zinc/22/64/09/970226409.db2.gz NGVQVJKTJLWOTO-UHFFFAOYSA-N 1 3 419.554 3.993 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000237172848 970236034 /nfs/dbraw/zinc/23/60/34/970236034.db2.gz FGCYSIYCUPGUSL-UHFFFAOYSA-N 1 3 413.871 3.940 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000145628745 970267393 /nfs/dbraw/zinc/26/73/93/970267393.db2.gz JIOMLSVWKBTMHI-UHFFFAOYSA-N 1 3 402.652 3.579 20 0 HHADHO CC1CCN([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)c2cccs2)CC1 ZINC000195547994 970505247 /nfs/dbraw/zinc/50/52/47/970505247.db2.gz UUVXLHHNFWSVEM-HXUWFJFHSA-N 1 3 404.624 3.695 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000409573807 973022595 /nfs/dbraw/zinc/02/25/95/973022595.db2.gz GZWUVLMFYGRJAV-RUZDIDTESA-N 1 3 422.617 3.570 20 0 HHADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409774436 973251910 /nfs/dbraw/zinc/25/19/10/973251910.db2.gz PGVGVOZUFNTMKR-KRWDZBQOSA-N 1 3 411.512 3.875 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1 ZINC000410313437 973857408 /nfs/dbraw/zinc/85/74/08/973857408.db2.gz PICBBAUDPYMXGX-VWLOTQADSA-N 1 3 422.617 3.858 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000410333546 973910725 /nfs/dbraw/zinc/91/07/25/973910725.db2.gz SLFIKGFNHVIQJK-VWLOTQADSA-N 1 3 420.601 3.923 20 0 HHADHO CSc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426770179 974646981 /nfs/dbraw/zinc/64/69/81/974646981.db2.gz PRJPPFMMLDEPEI-KDURUIRLSA-N 1 3 419.635 3.948 20 0 HHADHO CSc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426770181 974647426 /nfs/dbraw/zinc/64/74/26/974647426.db2.gz PRJPPFMMLDEPEI-RTBURBONSA-N 1 3 419.635 3.948 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426830484 974695833 /nfs/dbraw/zinc/69/58/33/974695833.db2.gz YMBRBDHFIOOISK-VSKRKVRLSA-N 1 3 415.622 3.553 20 0 HHADHO O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427216481 974984484 /nfs/dbraw/zinc/98/44/84/974984484.db2.gz DRTVJMQJUJIUEI-UHFFFAOYSA-N 1 3 415.578 3.525 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486021 976744958 /nfs/dbraw/zinc/74/49/58/976744958.db2.gz BTLLVYXTRLNQAE-NFBKMPQASA-N 1 3 414.638 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486021 976744965 /nfs/dbraw/zinc/74/49/65/976744965.db2.gz BTLLVYXTRLNQAE-NFBKMPQASA-N 1 3 414.638 3.833 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486024 976745199 /nfs/dbraw/zinc/74/51/99/976745199.db2.gz BTLLVYXTRLNQAE-NZQKXSOJSA-N 1 3 414.638 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486024 976745206 /nfs/dbraw/zinc/74/52/06/976745206.db2.gz BTLLVYXTRLNQAE-NZQKXSOJSA-N 1 3 414.638 3.833 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000429495474 976753190 /nfs/dbraw/zinc/75/31/90/976753190.db2.gz WGWKQMNTWNGMAN-SZPZYZBQSA-N 1 3 422.658 3.564 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322757 978207639 /nfs/dbraw/zinc/20/76/39/978207639.db2.gz YAEIUTZBPVZTKC-XUZZJYLKSA-N 1 3 420.601 3.611 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322757 978207643 /nfs/dbraw/zinc/20/76/43/978207643.db2.gz YAEIUTZBPVZTKC-XUZZJYLKSA-N 1 3 420.601 3.611 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433288352 979217606 /nfs/dbraw/zinc/21/76/06/979217606.db2.gz NIJZJQVIMZSMLU-FQEVSTJZSA-N 1 3 408.428 3.730 20 0 HHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433288352 979217611 /nfs/dbraw/zinc/21/76/11/979217611.db2.gz NIJZJQVIMZSMLU-FQEVSTJZSA-N 1 3 408.428 3.730 20 0 HHADHO C[NH+](C)Cc1ccccc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000433357817 979255326 /nfs/dbraw/zinc/25/53/26/979255326.db2.gz ZFYXGTLHAFFMJL-UHFFFAOYSA-N 1 3 415.965 3.675 20 0 HHADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000434349374 980109177 /nfs/dbraw/zinc/10/91/77/980109177.db2.gz HNBIFADNBQKKRS-QHCPKHFHSA-N 1 3 410.606 3.701 20 0 HHADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434349374 980109179 /nfs/dbraw/zinc/10/91/79/980109179.db2.gz HNBIFADNBQKKRS-QHCPKHFHSA-N 1 3 410.606 3.701 20 0 HHADHO C[NH+]1CCC(CNC(=O)c2ccc(Cl)c3cccnc23)(N2CCCCC2)CC1 ZINC000460504511 982293696 /nfs/dbraw/zinc/29/36/96/982293696.db2.gz PFZJGVCLSKVTON-UHFFFAOYSA-N 1 3 400.954 3.568 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000460561289 982347116 /nfs/dbraw/zinc/34/71/16/982347116.db2.gz WCNXQFZYSOKQDH-NDBXHCKUSA-N 1 3 418.585 3.595 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000460561289 982347121 /nfs/dbraw/zinc/34/71/21/982347121.db2.gz WCNXQFZYSOKQDH-NDBXHCKUSA-N 1 3 418.585 3.595 20 0 HHADHO C[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000437787958 982357488 /nfs/dbraw/zinc/35/74/88/982357488.db2.gz SHPZVOPZHAKUCY-LNLGZHKDSA-N 1 3 409.574 3.836 20 0 HHADHO Cc1ccc2cc(CNCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186259 982640048 /nfs/dbraw/zinc/64/00/48/982640048.db2.gz GLFPWTKPXWEISO-HSZRJFAPSA-N 1 3 402.542 3.530 20 0 HHADHO Cc1ccc2cc(CNCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2n1 ZINC000438186259 982640054 /nfs/dbraw/zinc/64/00/54/982640054.db2.gz GLFPWTKPXWEISO-HSZRJFAPSA-N 1 3 402.542 3.530 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977046 983190168 /nfs/dbraw/zinc/19/01/68/983190168.db2.gz SENSRXLBPBHSOY-GBXCKJPGSA-N 1 3 421.589 3.743 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230500 983320701 /nfs/dbraw/zinc/32/07/01/983320701.db2.gz SAOLMVHWKIZKHE-AZUAARDMSA-N 1 3 400.592 3.657 20 0 HHADHO Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000439457694 983419099 /nfs/dbraw/zinc/41/90/99/983419099.db2.gz RCTRUMLBDLNOLA-JOCHJYFZSA-N 1 3 424.593 3.588 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185193 983674326 /nfs/dbraw/zinc/67/43/26/983674326.db2.gz JLOVRXCEPLEBFF-GBXCKJPGSA-N 1 3 421.589 3.523 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185193 983674330 /nfs/dbraw/zinc/67/43/30/983674330.db2.gz JLOVRXCEPLEBFF-GBXCKJPGSA-N 1 3 421.589 3.523 20 0 HHADHO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442874712 985254661 /nfs/dbraw/zinc/25/46/61/985254661.db2.gz NNUXQVOIJSBYLZ-KSSFIOAISA-N 1 3 412.441 3.848 20 0 HHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000468060800 985718802 /nfs/dbraw/zinc/71/88/02/985718802.db2.gz SRIXPSLLVNFFJJ-RJGXRXQPSA-N 1 3 409.574 3.988 20 0 HHADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596226 985773179 /nfs/dbraw/zinc/77/31/79/985773179.db2.gz VUEAUDUSLKLSOM-HXUWFJFHSA-N 1 3 410.606 3.803 20 0 HHADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CCN1Cc1ccccc1 ZINC000463070260 986026173 /nfs/dbraw/zinc/02/61/73/986026173.db2.gz SBHZTKHIIIZAGO-DHLKQENFSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463077058 986034431 /nfs/dbraw/zinc/03/44/31/986034431.db2.gz MFDPAVITWIWUHI-DHLKQENFSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077058 986034445 /nfs/dbraw/zinc/03/44/45/986034445.db2.gz MFDPAVITWIWUHI-DHLKQENFSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077058 986034456 /nfs/dbraw/zinc/03/44/56/986034456.db2.gz MFDPAVITWIWUHI-DHLKQENFSA-N 1 3 423.601 3.540 20 0 HHADHO Cc1nc2ccccc2n1CCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000463112432 986075792 /nfs/dbraw/zinc/07/57/92/986075792.db2.gz UNPYMNVBUVRWMD-AIZNXBIQSA-N 1 3 409.622 3.758 20 0 HHADHO Cc1nc2ccccc2n1CCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000463112432 986075806 /nfs/dbraw/zinc/07/58/06/986075806.db2.gz UNPYMNVBUVRWMD-AIZNXBIQSA-N 1 3 409.622 3.758 20 0 HHADHO Fc1ccc(CC[NH+]2CCC(NCCOc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000463276410 986242905 /nfs/dbraw/zinc/24/29/05/986242905.db2.gz YSMABXKRBJHUCV-UHFFFAOYSA-N 1 3 411.443 3.915 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2)CC1 ZINC000469696421 987353717 /nfs/dbraw/zinc/35/37/17/987353717.db2.gz UXRXEZOQTSZFKL-QFIPXVFZSA-N 1 3 420.601 3.565 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2)CC1 ZINC000469696421 987353723 /nfs/dbraw/zinc/35/37/23/987353723.db2.gz UXRXEZOQTSZFKL-QFIPXVFZSA-N 1 3 420.601 3.565 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000469756258 987409048 /nfs/dbraw/zinc/40/90/48/987409048.db2.gz GBHBJCHFDFULLM-YOSAUDMPSA-N 1 3 405.586 3.926 20 0 HHADHO CC(C)Oc1cccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000469759726 987413539 /nfs/dbraw/zinc/41/35/39/987413539.db2.gz CHUHOTVUJUJCSJ-SFTDATJTSA-N 1 3 423.601 3.836 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000469768133 987420784 /nfs/dbraw/zinc/42/07/84/987420784.db2.gz JMBFTBWQIJHJKU-UCLAMDLLSA-N 1 3 409.618 3.818 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000469785840 987431411 /nfs/dbraw/zinc/43/14/11/987431411.db2.gz FUYZYAXSDSUDNM-HZPDHXFCSA-N 1 3 405.995 3.764 20 0 HHADHO CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469787008 987432111 /nfs/dbraw/zinc/43/21/11/987432111.db2.gz MSXYZNRLXOLQPZ-ACWUQQCTSA-N 1 3 423.601 3.586 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470282843 988238676 /nfs/dbraw/zinc/23/86/76/988238676.db2.gz LKCSQHPANUWOLL-GOTSBHOMSA-N 1 3 400.611 3.516 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282843 988238682 /nfs/dbraw/zinc/23/86/82/988238682.db2.gz LKCSQHPANUWOLL-GOTSBHOMSA-N 1 3 400.611 3.516 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674341 988697753 /nfs/dbraw/zinc/69/77/53/988697753.db2.gz LEPHVDHKGVVDPB-VWLOTQADSA-N 1 3 420.601 3.565 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674341 988697759 /nfs/dbraw/zinc/69/77/59/988697759.db2.gz LEPHVDHKGVVDPB-VWLOTQADSA-N 1 3 420.601 3.565 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733274 988766879 /nfs/dbraw/zinc/76/68/79/988766879.db2.gz QPMQQRLVRWOVKC-ISKFKSNPSA-N 1 3 412.622 3.833 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733274 988766885 /nfs/dbraw/zinc/76/68/85/988766885.db2.gz QPMQQRLVRWOVKC-ISKFKSNPSA-N 1 3 412.622 3.833 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470744485 988783928 /nfs/dbraw/zinc/78/39/28/988783928.db2.gz GYMNJHQBNLPOKB-XJUOHMSHSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470744485 988783936 /nfs/dbraw/zinc/78/39/36/988783936.db2.gz GYMNJHQBNLPOKB-XJUOHMSHSA-N 1 3 400.611 3.660 20 0 HHADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464670414 988867813 /nfs/dbraw/zinc/86/78/13/988867813.db2.gz MNAKUFGULQQFHJ-CTNGQTDRSA-N 1 3 411.512 3.631 20 0 HHADHO C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000465431591 989776294 /nfs/dbraw/zinc/77/62/94/989776294.db2.gz KINOKFUKQUYFHD-URXFXBBRSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000465431591 989776300 /nfs/dbraw/zinc/77/63/00/989776300.db2.gz KINOKFUKQUYFHD-URXFXBBRSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@@H]1CCC[C@](CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713552 989911914 /nfs/dbraw/zinc/91/19/14/989911914.db2.gz FYPCQZDZMFGVRQ-GIESBBMHSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729379 989924836 /nfs/dbraw/zinc/92/48/36/989924836.db2.gz UQVJCABBBOOADP-JCTONOIOSA-N 1 3 406.574 3.643 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729379 989924838 /nfs/dbraw/zinc/92/48/38/989924838.db2.gz UQVJCABBBOOADP-JCTONOIOSA-N 1 3 406.574 3.643 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465694790 990080995 /nfs/dbraw/zinc/08/09/95/990080995.db2.gz QHHHVTIVMGAXBP-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000465694790 990081004 /nfs/dbraw/zinc/08/10/04/990081004.db2.gz QHHHVTIVMGAXBP-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1C[C@H]1[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819687 990203085 /nfs/dbraw/zinc/20/30/85/990203085.db2.gz WARPVXHSEHAGAQ-HVETUWLQSA-N 1 3 419.013 3.895 20 0 HHADHO CCC[C@@H](CCc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465825376 990208617 /nfs/dbraw/zinc/20/86/17/990208617.db2.gz DUJPZEPZYCTMBO-NRFANRHFSA-N 1 3 400.611 3.646 20 0 HHADHO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465827129 990211129 /nfs/dbraw/zinc/21/11/29/990211129.db2.gz UQUXLUNTBLACNR-QHCPKHFHSA-N 1 3 414.638 3.906 20 0 HHADHO Cc1ccc2[nH]c(CNCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2c1C ZINC000472051335 990217571 /nfs/dbraw/zinc/21/75/71/990217571.db2.gz FNONJJKTWACAPN-UHFFFAOYSA-N 1 3 404.558 3.900 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465932753 991068516 /nfs/dbraw/zinc/06/85/16/991068516.db2.gz RNOJVBBXVPYHMA-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465932753 991068525 /nfs/dbraw/zinc/06/85/25/991068525.db2.gz RNOJVBBXVPYHMA-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000465952536 991091344 /nfs/dbraw/zinc/09/13/44/991091344.db2.gz KSXOBXWWAKQCJD-JOCHJYFZSA-N 1 3 400.611 3.949 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CN1Cc1ccccc1 ZINC000466228575 991450984 /nfs/dbraw/zinc/45/09/84/991450984.db2.gz WFAJGKJZHKDHBG-GBXCKJPGSA-N 1 3 406.574 3.745 20 0 HHADHO Cc1nn(C(C)C)cc1CNCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000466345383 991604277 /nfs/dbraw/zinc/60/42/77/991604277.db2.gz YZOIJKJMFIKVJX-UHFFFAOYSA-N 1 3 409.500 3.833 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466530739 991829001 /nfs/dbraw/zinc/82/90/01/991829001.db2.gz RRIJTJXXWDPZBD-QPPBQGQZSA-N 1 3 420.601 3.955 20 0 HHADHO O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000467241988 992563766 /nfs/dbraw/zinc/56/37/66/992563766.db2.gz KCXCFPYBFDDRPM-UHFFFAOYSA-N 1 3 420.601 3.501 20 0 HHADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000472336246 993344284 /nfs/dbraw/zinc/34/42/84/993344284.db2.gz MCICTZYMVBSAEY-PKTZIBPZSA-N 1 3 410.562 3.974 20 0 HHADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000472336247 993344518 /nfs/dbraw/zinc/34/45/18/993344518.db2.gz MCICTZYMVBSAEY-XZOQPEGZSA-N 1 3 410.562 3.974 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366131 993363176 /nfs/dbraw/zinc/36/31/76/993363176.db2.gz HTRCBRLAFLGSRB-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366131 993363183 /nfs/dbraw/zinc/36/31/83/993363183.db2.gz HTRCBRLAFLGSRB-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472457615 993459904 /nfs/dbraw/zinc/45/99/04/993459904.db2.gz SJQQODWDRGSTAC-UHFFFAOYSA-N 1 3 406.537 3.555 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000480725895 993594164 /nfs/dbraw/zinc/59/41/64/993594164.db2.gz ZXHSBYKFDBEIGW-OAQYLSRUSA-N 1 3 403.574 3.861 20 0 HHADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(Br)ccc1F ZINC000480733805 993599360 /nfs/dbraw/zinc/59/93/60/993599360.db2.gz PTNNUJLZHHLMQS-CQSZACIVSA-N 1 3 407.331 3.586 20 0 HHADHO C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Br)ccc1F ZINC000480733805 993599369 /nfs/dbraw/zinc/59/93/69/993599369.db2.gz PTNNUJLZHHLMQS-CQSZACIVSA-N 1 3 407.331 3.586 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000480771840 993637404 /nfs/dbraw/zinc/63/74/04/993637404.db2.gz PTCDYJSDFVPBRJ-IBGZPJMESA-N 1 3 415.603 3.806 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000480908920 993765115 /nfs/dbraw/zinc/76/51/15/993765115.db2.gz LBOAOPMONVJXQX-AUSIDOKSSA-N 1 3 410.562 3.561 20 0 HHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000481292704 994107404 /nfs/dbraw/zinc/10/74/04/994107404.db2.gz FQFBGYDBMMSHEM-LJQANCHMSA-N 1 3 415.603 3.919 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329573 994148840 /nfs/dbraw/zinc/14/88/40/994148840.db2.gz IBPZUPNOUDBTCP-CVDCTZTESA-N 1 3 409.578 3.641 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331361 994149896 /nfs/dbraw/zinc/14/98/96/994149896.db2.gz PFDAAOAQHRJVIA-RDPSFJRHSA-N 1 3 423.605 3.950 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473530029 994387707 /nfs/dbraw/zinc/38/77/07/994387707.db2.gz QLQWPBIOJVXTFX-LSJNQWAISA-N 1 3 401.517 3.563 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473530029 994387710 /nfs/dbraw/zinc/38/77/10/994387710.db2.gz QLQWPBIOJVXTFX-LSJNQWAISA-N 1 3 401.517 3.563 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000474254799 995253751 /nfs/dbraw/zinc/25/37/51/995253751.db2.gz VPUCSANWZWHAFF-UHFFFAOYSA-N 1 3 419.013 3.788 20 0 HHADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343654 995322824 /nfs/dbraw/zinc/32/28/24/995322824.db2.gz LSYWWTVFMGDGIH-GOSISDBHSA-N 1 3 401.576 3.529 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343654 995322832 /nfs/dbraw/zinc/32/28/32/995322832.db2.gz LSYWWTVFMGDGIH-GOSISDBHSA-N 1 3 401.576 3.529 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436148 995428615 /nfs/dbraw/zinc/42/86/15/995428615.db2.gz IPKNQDIDROLMGE-TZIWHRDSSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436148 995428618 /nfs/dbraw/zinc/42/86/18/995428618.db2.gz IPKNQDIDROLMGE-TZIWHRDSSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482436148 995428632 /nfs/dbraw/zinc/42/86/32/995428632.db2.gz IPKNQDIDROLMGE-TZIWHRDSSA-N 1 3 415.603 3.663 20 0 HHADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541929 995550108 /nfs/dbraw/zinc/55/01/08/995550108.db2.gz HPPUVCWPMSTURQ-RXVVDRJESA-N 1 3 413.537 3.643 20 0 HHADHO Cc1ccc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000474634336 995580654 /nfs/dbraw/zinc/58/06/54/995580654.db2.gz OWKSKIVAPHGNIW-OAQYLSRUSA-N 1 3 410.562 3.674 20 0 HHADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000482724642 995708893 /nfs/dbraw/zinc/70/88/93/995708893.db2.gz SQHYDGUOCDLCFB-QFIPXVFZSA-N 1 3 423.523 3.964 20 0 HHADHO CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475182372 995978839 /nfs/dbraw/zinc/97/88/39/995978839.db2.gz KDIDBLBZUJRSJU-HSZRJFAPSA-N 1 3 400.611 3.949 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475184748 995981316 /nfs/dbraw/zinc/98/13/16/995981316.db2.gz UVURZQWQBZVKJD-BKULYWANSA-N 1 3 412.622 3.945 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475184748 995981322 /nfs/dbraw/zinc/98/13/22/995981322.db2.gz UVURZQWQBZVKJD-BKULYWANSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483133344 995994155 /nfs/dbraw/zinc/99/41/55/995994155.db2.gz HSJNFYRIZKMHSC-QZTJIDSGSA-N 1 3 401.576 3.934 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000475313148 996063505 /nfs/dbraw/zinc/06/35/05/996063505.db2.gz CJOZMYMVNBHOFK-LJQANCHMSA-N 1 3 421.589 3.667 20 0 HHADHO C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493282 996817347 /nfs/dbraw/zinc/81/73/47/996817347.db2.gz BWOSRWMOIDNUNL-QPXQOZNCSA-N 1 3 415.603 3.865 20 0 HHADHO C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493282 996817359 /nfs/dbraw/zinc/81/73/59/996817359.db2.gz BWOSRWMOIDNUNL-QPXQOZNCSA-N 1 3 415.603 3.865 20 0 HHADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710742 997252220 /nfs/dbraw/zinc/25/22/20/997252220.db2.gz VVYMZARWMLOGEL-UYAOXDASSA-N 1 3 400.592 3.705 20 0 HHADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710742 997252231 /nfs/dbraw/zinc/25/22/31/997252231.db2.gz VVYMZARWMLOGEL-UYAOXDASSA-N 1 3 400.592 3.705 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926230 997301202 /nfs/dbraw/zinc/30/12/02/997301202.db2.gz PYTAHVZWAPWRFU-MQNAVGNWSA-N 1 3 418.528 3.846 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926230 997301207 /nfs/dbraw/zinc/30/12/07/997301207.db2.gz PYTAHVZWAPWRFU-MQNAVGNWSA-N 1 3 418.528 3.846 20 0 HHADHO Oc1ccc(C2=CCN(CCOCC[N@H+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000485151661 997534791 /nfs/dbraw/zinc/53/47/91/997534791.db2.gz VTDNEBORDCVCTH-UHFFFAOYSA-N 1 3 420.553 3.993 20 0 HHADHO Oc1ccc(C2=CCN(CCOCC[N@@H+]3CC=C(c4ccc(O)cc4)CC3)CC2)cc1 ZINC000485151661 997534797 /nfs/dbraw/zinc/53/47/97/997534797.db2.gz VTDNEBORDCVCTH-UHFFFAOYSA-N 1 3 420.553 3.993 20 0 HHADHO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccccc3CN(C)C)cc2)C[C@H]1C ZINC000486823115 998956492 /nfs/dbraw/zinc/95/64/92/998956492.db2.gz KRWUMNBIVAJNOM-NHCUHLMSSA-N 1 3 423.601 3.687 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000478738054 999115778 /nfs/dbraw/zinc/11/57/78/999115778.db2.gz JJFWRGAIXQAEMY-QFIPXVFZSA-N 1 3 400.542 3.770 20 0 HHADHO COc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444521 999420480 /nfs/dbraw/zinc/42/04/80/999420480.db2.gz IWGQFRLOIUTYRB-XUZZJYLKSA-N 1 3 405.546 3.530 20 0 HHADHO COc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444521 999420483 /nfs/dbraw/zinc/42/04/83/999420483.db2.gz IWGQFRLOIUTYRB-XUZZJYLKSA-N 1 3 405.546 3.530 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000479452872 999424178 /nfs/dbraw/zinc/42/41/78/999424178.db2.gz IKOHPKNNYIWQFB-IRFCIJBXSA-N 1 3 415.603 3.512 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1)C1CC1 ZINC000479969032 999668094 /nfs/dbraw/zinc/66/80/94/999668094.db2.gz UPIPCWLOTUKDEK-UHFFFAOYSA-N 1 3 421.585 3.558 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1)C1CC1 ZINC000479969032 999668097 /nfs/dbraw/zinc/66/80/97/999668097.db2.gz UPIPCWLOTUKDEK-UHFFFAOYSA-N 1 3 421.585 3.558 20 0 HHADHO O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000479989598 999676498 /nfs/dbraw/zinc/67/64/98/999676498.db2.gz LZANXAJFMORIIT-UHFFFAOYSA-N 1 3 421.585 3.559 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178965 999717202 /nfs/dbraw/zinc/71/72/02/999717202.db2.gz XXZABCMPISSDEJ-UWJYYQICSA-N 1 3 418.582 3.701 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178965 999717205 /nfs/dbraw/zinc/71/72/05/999717205.db2.gz XXZABCMPISSDEJ-UWJYYQICSA-N 1 3 418.582 3.701 20 0 HHADHO Cc1cccc([C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)(C)C)c1 ZINC000489394952 999757797 /nfs/dbraw/zinc/75/77/97/999757797.db2.gz LLUMTXZAKIEDID-JOCHJYFZSA-N 1 3 400.611 3.940 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498781 999778968 /nfs/dbraw/zinc/77/89/68/999778968.db2.gz REMJPEQQLQHVHZ-SQJMNOBHSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498781 999778969 /nfs/dbraw/zinc/77/89/69/999778969.db2.gz REMJPEQQLQHVHZ-SQJMNOBHSA-N 1 3 420.601 3.645 20 0 HHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489802538 999841248 /nfs/dbraw/zinc/84/12/48/999841248.db2.gz CRSBSXHWDRLDQV-RTBURBONSA-N 1 3 414.516 3.651 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000480701648 999863277 /nfs/dbraw/zinc/86/32/77/999863277.db2.gz GJTIFSORNQTUCI-NRFANRHFSA-N 1 3 403.574 3.861 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490173578 999904988 /nfs/dbraw/zinc/90/49/88/999904988.db2.gz WMTFQICKPOGSDZ-XMSQKQJNSA-N 1 3 403.517 3.993 20 0 HHADHO Cc1ccc([C@H](NCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000491063652 1000041475 /nfs/dbraw/zinc/04/14/75/1000041475.db2.gz ZVSMSOHZSCNGBN-HSZRJFAPSA-N 1 3 400.588 3.728 20 0 HHADHO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494566756 1000557436 /nfs/dbraw/zinc/55/74/36/1000557436.db2.gz WUDRZKWEMOIAEU-ZJSXRUAMSA-N 1 3 415.622 3.542 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000505726792 1000995202 /nfs/dbraw/zinc/99/52/02/1000995202.db2.gz NARSMEAVGBXKRJ-WDJPJFJCSA-N 1 3 424.589 3.823 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000505738448 1001001077 /nfs/dbraw/zinc/00/10/77/1001001077.db2.gz SCVVIYFYJUCPHI-CQSZACIVSA-N 1 3 410.971 3.545 20 0 HHADHO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495434206 1001011566 /nfs/dbraw/zinc/01/15/66/1001011566.db2.gz QRNOZASETIEKPM-UEXGIBASSA-N 1 3 401.576 3.619 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000497433906 1001362623 /nfs/dbraw/zinc/36/26/23/1001362623.db2.gz DUYUTTOBSRNAEO-PGRDOPGGSA-N 1 3 412.578 3.727 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511229 1001445939 /nfs/dbraw/zinc/44/59/39/1001445939.db2.gz OKPMWSSVXHDMJE-FPOVZHCZSA-N 1 3 407.549 3.915 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511229 1001445941 /nfs/dbraw/zinc/44/59/41/1001445941.db2.gz OKPMWSSVXHDMJE-FPOVZHCZSA-N 1 3 407.549 3.915 20 0 HHADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000498126617 1001652894 /nfs/dbraw/zinc/65/28/94/1001652894.db2.gz KZOFLSFLAPEVFQ-URXFXBBRSA-N 1 3 406.574 3.651 20 0 HHADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000507365399 1002026136 /nfs/dbraw/zinc/02/61/36/1002026136.db2.gz ZIVVNUBSPVOAJB-MRXNPFEDSA-N 1 3 419.791 3.647 20 0 HHADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000507365399 1002026144 /nfs/dbraw/zinc/02/61/44/1002026144.db2.gz ZIVVNUBSPVOAJB-MRXNPFEDSA-N 1 3 419.791 3.647 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691476 1002078653 /nfs/dbraw/zinc/07/86/53/1002078653.db2.gz CZRKDOUSLNAUIM-GVXSCFBNSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691476 1002078663 /nfs/dbraw/zinc/07/86/63/1002078663.db2.gz CZRKDOUSLNAUIM-GVXSCFBNSA-N 1 3 420.601 3.813 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)N1CCc2ccccc21 ZINC000507464068 1002086145 /nfs/dbraw/zinc/08/61/45/1002086145.db2.gz WJDXICYALWVVHJ-KMDXXIMOSA-N 1 3 403.570 3.856 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c(OCC)c2)CC1 ZINC000507592443 1002197500 /nfs/dbraw/zinc/19/75/00/1002197500.db2.gz DVIGYSMGIXZYGR-UHFFFAOYSA-N 1 3 424.589 3.931 20 0 HHADHO Cc1nn2c(CN3CCC(CCC[NH+]4CCOCC4)CC3)c(C(C)C)nc2s1 ZINC000507712504 1002302665 /nfs/dbraw/zinc/30/26/65/1002302665.db2.gz CWQXQQJTDYZRPL-UHFFFAOYSA-N 1 3 405.612 3.547 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000499112097 1002501879 /nfs/dbraw/zinc/50/18/79/1002501879.db2.gz NWOSUVKYAZXSPZ-CHOVIJNXSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000499112097 1002501905 /nfs/dbraw/zinc/50/19/05/1002501905.db2.gz NWOSUVKYAZXSPZ-CHOVIJNXSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000499138313 1002523460 /nfs/dbraw/zinc/52/34/60/1002523460.db2.gz DNEKXTNSPGJANG-QETSIRBWSA-N 1 3 420.601 3.980 20 0 HHADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000499419724 1002804177 /nfs/dbraw/zinc/80/41/77/1002804177.db2.gz IZHZVEUAYBZXAX-QGZVFWFLSA-N 1 3 422.411 3.619 20 0 HHADHO CCSc1ccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000508563720 1003032046 /nfs/dbraw/zinc/03/20/46/1003032046.db2.gz MEADOINIDMSUCX-KRWDZBQOSA-N 1 3 404.624 3.717 20 0 HHADHO CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)c1ccccc1OC ZINC000508577051 1003040293 /nfs/dbraw/zinc/04/02/93/1003040293.db2.gz FFRXOYJRSUAVDK-IBGZPJMESA-N 1 3 416.610 3.736 20 0 HHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1)[NH+](C)C ZINC000508870113 1003291110 /nfs/dbraw/zinc/29/11/10/1003291110.db2.gz KQWLJAFLZGJYEH-KNQAVFIVSA-N 1 3 400.567 3.743 20 0 HHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875263 1003295209 /nfs/dbraw/zinc/29/52/09/1003295209.db2.gz BVOGYZCJBOSYKV-HSQYWUDLSA-N 1 3 400.542 3.727 20 0 HHADHO CC(C)(CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N1CCc2ccccc2C1 ZINC000500127055 1003488345 /nfs/dbraw/zinc/48/83/45/1003488345.db2.gz BXWBNZPKFXQRAJ-UHFFFAOYSA-N 1 3 420.601 3.919 20 0 HHADHO C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000509020028 1003491945 /nfs/dbraw/zinc/49/19/45/1003491945.db2.gz BHIOQPYHARNIQS-NOZRDPDXSA-N 1 3 406.618 3.699 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372169 1003668231 /nfs/dbraw/zinc/66/82/31/1003668231.db2.gz UOYVZYYSJZMNAB-OALUTQOASA-N 1 3 410.389 3.772 20 0 HHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500421773 1003706998 /nfs/dbraw/zinc/70/69/98/1003706998.db2.gz OPCMNFQZHAODGM-DEOSSOPVSA-N 1 3 407.558 3.858 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365704 1003794787 /nfs/dbraw/zinc/79/47/87/1003794787.db2.gz LENNOJJSBSSENX-XLIONFOSSA-N 1 3 410.587 3.592 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000509365704 1003794797 /nfs/dbraw/zinc/79/47/97/1003794797.db2.gz LENNOJJSBSSENX-XLIONFOSSA-N 1 3 410.587 3.592 20 0 HHADHO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237448 1004139520 /nfs/dbraw/zinc/13/95/20/1004139520.db2.gz RCYCFWOAPIKCSB-FYYLOGMGSA-N 1 3 400.950 3.678 20 0 HHADHO O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237448 1004139527 /nfs/dbraw/zinc/13/95/27/1004139527.db2.gz RCYCFWOAPIKCSB-FYYLOGMGSA-N 1 3 400.950 3.678 20 0 HHADHO C[C@@H](C(=O)Nc1ccccc1OC(F)F)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045415 1004146547 /nfs/dbraw/zinc/14/65/47/1004146547.db2.gz JVPRHIBZDMIBMX-INIZCTEOSA-N 1 3 418.488 3.858 20 0 HHADHO CN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046147 1004147507 /nfs/dbraw/zinc/14/75/07/1004147507.db2.gz OPTNZIFEXVESER-XMMPIXPASA-N 1 3 406.574 3.766 20 0 HHADHO COc1ccc([C@@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501046744 1004148550 /nfs/dbraw/zinc/14/85/50/1004148550.db2.gz MSWKJMYMGNWYEB-VWLOTQADSA-N 1 3 422.573 3.506 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000501065675 1004168404 /nfs/dbraw/zinc/16/84/04/1004168404.db2.gz GUUCJMOIOZUWAG-DEOSSOPVSA-N 1 3 421.589 3.604 20 0 HHADHO C[C@@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)CN1CCCCC1 ZINC000510029430 1004276685 /nfs/dbraw/zinc/27/66/85/1004276685.db2.gz MESJQPACJXCVLY-PELRDEGISA-N 1 3 422.013 3.858 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)N2CCCC2)cc1 ZINC000501325940 1004350018 /nfs/dbraw/zinc/35/00/18/1004350018.db2.gz HCQOSFZWWUGVBU-XZOQPEGZSA-N 1 3 416.610 3.642 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000512648948 1004460041 /nfs/dbraw/zinc/46/00/41/1004460041.db2.gz RQWLBLYMGUYDNX-NRFANRHFSA-N 1 3 414.638 3.591 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653968 1004466419 /nfs/dbraw/zinc/46/64/19/1004466419.db2.gz IGSFBTJYMCQLSB-YFNKSVMNSA-N 1 3 408.542 3.629 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653968 1004466424 /nfs/dbraw/zinc/46/64/24/1004466424.db2.gz IGSFBTJYMCQLSB-YFNKSVMNSA-N 1 3 408.542 3.629 20 0 HHADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512661851 1004472957 /nfs/dbraw/zinc/47/29/57/1004472957.db2.gz USGQVUBHTVRHEZ-YTFSRNRJSA-N 1 3 419.569 3.692 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664573 1004475790 /nfs/dbraw/zinc/47/57/90/1004475790.db2.gz AGGAYOSRUVRURH-XQBPLPMBSA-N 1 3 413.512 3.585 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664573 1004475794 /nfs/dbraw/zinc/47/57/94/1004475794.db2.gz AGGAYOSRUVRURH-XQBPLPMBSA-N 1 3 413.512 3.585 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708691 1004509181 /nfs/dbraw/zinc/50/91/81/1004509181.db2.gz VFRDRIZOWYCNBF-GIWBLDEGSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708691 1004509188 /nfs/dbraw/zinc/50/91/88/1004509188.db2.gz VFRDRIZOWYCNBF-GIWBLDEGSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713325 1004512627 /nfs/dbraw/zinc/51/26/27/1004512627.db2.gz ZLSWWAIIHBYQOH-MOPGFXCFSA-N 1 3 402.583 3.538 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713325 1004512634 /nfs/dbraw/zinc/51/26/34/1004512634.db2.gz ZLSWWAIIHBYQOH-MOPGFXCFSA-N 1 3 402.583 3.538 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000501615711 1004554766 /nfs/dbraw/zinc/55/47/66/1004554766.db2.gz HUDQEZAFHCZZTH-QFIPXVFZSA-N 1 3 424.564 3.808 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501728768 1004653454 /nfs/dbraw/zinc/65/34/54/1004653454.db2.gz RUDGPWKHGZRZFS-UHFFFAOYSA-N 1 3 420.601 3.920 20 0 HHADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)c2)cc1 ZINC000513696645 1005086360 /nfs/dbraw/zinc/08/63/60/1005086360.db2.gz BUUYGMRBAALVHG-VXNXHJTFSA-N 1 3 423.557 3.789 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)CC1 ZINC000511343171 1005131682 /nfs/dbraw/zinc/13/16/82/1005131682.db2.gz MDUOTFNWKPFECD-JOCHJYFZSA-N 1 3 402.558 3.525 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)CC1 ZINC000511343172 1005131735 /nfs/dbraw/zinc/13/17/35/1005131735.db2.gz MDUOTFNWKPFECD-QFIPXVFZSA-N 1 3 402.558 3.525 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000511505717 1005204202 /nfs/dbraw/zinc/20/42/02/1005204202.db2.gz FCLFKLVIRXNGPQ-LEWJYISDSA-N 1 3 405.533 3.621 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171451 1005297982 /nfs/dbraw/zinc/29/79/82/1005297982.db2.gz BQHKLKAFMBIXBR-BJKOFHAPSA-N 1 3 406.574 3.706 20 0 HHADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503385020 1005404470 /nfs/dbraw/zinc/40/44/70/1005404470.db2.gz BCYWRIRBQKNOFW-NRFANRHFSA-N 1 3 422.683 3.646 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000504434634 1005627902 /nfs/dbraw/zinc/62/79/02/1005627902.db2.gz DWEYDRFJMKZJJA-OAQYLSRUSA-N 1 3 423.605 3.729 20 0 HHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000504434634 1005627905 /nfs/dbraw/zinc/62/79/05/1005627905.db2.gz DWEYDRFJMKZJJA-OAQYLSRUSA-N 1 3 423.605 3.729 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000514817554 1006149275 /nfs/dbraw/zinc/14/92/75/1006149275.db2.gz GCRPHPQZAYCPIB-UNVFRBQDSA-N 1 3 421.585 3.618 20 0 HHADHO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000514833564 1006163764 /nfs/dbraw/zinc/16/37/64/1006163764.db2.gz JEGDJVJJZPNIIG-RPBOFIJWSA-N 1 3 420.601 3.712 20 0 HHADHO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000514833564 1006163774 /nfs/dbraw/zinc/16/37/74/1006163774.db2.gz JEGDJVJJZPNIIG-RPBOFIJWSA-N 1 3 420.601 3.712 20 0 HHADHO Cc1ccc([C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)N2CCCC2)cc1 ZINC000531441809 1006198210 /nfs/dbraw/zinc/19/82/10/1006198210.db2.gz CJBLUFGVRDEVGC-DEOSSOPVSA-N 1 3 406.574 3.868 20 0 HHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000531709585 1006369681 /nfs/dbraw/zinc/36/96/81/1006369681.db2.gz XZWPORWOWOKOQF-NBGIEHNGSA-N 1 3 403.574 3.820 20 0 HHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)o1 ZINC000532015465 1006576938 /nfs/dbraw/zinc/57/69/38/1006576938.db2.gz MQYVEEQCXOEZBM-XZOQPEGZSA-N 1 3 420.557 3.908 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCC(=O)N2Cc3ccccc3C2)CC1 ZINC000532041924 1006595269 /nfs/dbraw/zinc/59/52/69/1006595269.db2.gz WTSGGAAJGUDMJW-UHFFFAOYSA-N 1 3 420.601 3.631 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000515922838 1006765800 /nfs/dbraw/zinc/76/58/00/1006765800.db2.gz LRLCVUNQGGKCSB-JOCHJYFZSA-N 1 3 412.553 3.564 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(N[C@H](C)[C@H](c3ccccc3)N3CCOCC3)cc2)CC1 ZINC000538535615 1006797663 /nfs/dbraw/zinc/79/76/63/1006797663.db2.gz SFCIPRUXPJXUGI-ATIYNZHBSA-N 1 3 422.617 3.698 20 0 HHADHO FC(F)(F)c1cccc(N2CCN(CCC[NH2+]C3CCN(CC4CC4)CC3)CC2)c1 ZINC000532449782 1006892318 /nfs/dbraw/zinc/89/23/18/1006892318.db2.gz ZAVJHQOSWKUUJT-UHFFFAOYSA-N 1 3 424.555 3.682 20 0 HHADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Br)ccc1F ZINC000532451527 1006893980 /nfs/dbraw/zinc/89/39/80/1006893980.db2.gz CCXCSWWANKOFFU-CQSZACIVSA-N 1 3 407.331 3.586 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460349 1006899895 /nfs/dbraw/zinc/89/98/95/1006899895.db2.gz GWEKUCUGDYWRJM-QQSVUBKYSA-N 1 3 423.601 3.711 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460349 1006899918 /nfs/dbraw/zinc/89/99/18/1006899918.db2.gz GWEKUCUGDYWRJM-QQSVUBKYSA-N 1 3 423.601 3.711 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460347 1006900197 /nfs/dbraw/zinc/90/01/97/1006900197.db2.gz GWEKUCUGDYWRJM-DSBYRVASSA-N 1 3 423.601 3.711 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)cc1 ZINC000532460347 1006900205 /nfs/dbraw/zinc/90/02/05/1006900205.db2.gz GWEKUCUGDYWRJM-DSBYRVASSA-N 1 3 423.601 3.711 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000538724163 1007001096 /nfs/dbraw/zinc/00/10/96/1007001096.db2.gz WECLBENIXHONIZ-UZUQRXQVSA-N 1 3 416.013 3.600 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000538724163 1007001106 /nfs/dbraw/zinc/00/11/06/1007001106.db2.gz WECLBENIXHONIZ-UZUQRXQVSA-N 1 3 416.013 3.600 20 0 HHADHO COc1nc2ccccc2cc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538724078 1007002323 /nfs/dbraw/zinc/00/23/23/1007002323.db2.gz QNNKZRYXHRCPFD-UHFFFAOYSA-N 1 3 410.606 3.872 20 0 HHADHO CCCN1CCN(c2ccccc2CNc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000532888811 1007268755 /nfs/dbraw/zinc/26/87/55/1007268755.db2.gz GJKGKFWZSUKREM-UHFFFAOYSA-N 1 3 423.605 3.721 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062581 1007355332 /nfs/dbraw/zinc/35/53/32/1007355332.db2.gz WPTDINBUUCWADK-GBESFXJTSA-N 1 3 409.368 3.630 20 0 HHADHO Cc1c([C@@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072106 1007363123 /nfs/dbraw/zinc/36/31/23/1007363123.db2.gz CSJOSHKLMVLNPK-IXDOHACOSA-N 1 3 405.974 3.769 20 0 HHADHO Cc1c([C@@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072106 1007363135 /nfs/dbraw/zinc/36/31/35/1007363135.db2.gz CSJOSHKLMVLNPK-IXDOHACOSA-N 1 3 405.974 3.769 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1c(C2CC2)nc2sccn12 ZINC000539403759 1007711507 /nfs/dbraw/zinc/71/15/07/1007711507.db2.gz CAJFSZRGOCYFMO-UHFFFAOYSA-N 1 3 415.651 3.901 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000517642401 1007852519 /nfs/dbraw/zinc/85/25/19/1007852519.db2.gz RZJRGVGHLGNWPE-IBGZPJMESA-N 1 3 415.626 3.769 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000517642401 1007852525 /nfs/dbraw/zinc/85/25/25/1007852525.db2.gz RZJRGVGHLGNWPE-IBGZPJMESA-N 1 3 415.626 3.769 20 0 HHADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628809 1007945745 /nfs/dbraw/zinc/94/57/45/1007945745.db2.gz VSSQWIGXXVRTOT-HFZDXXHNSA-N 1 3 419.617 3.936 20 0 HHADHO C[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539678521 1007998134 /nfs/dbraw/zinc/99/81/34/1007998134.db2.gz LJZIWHSANSWGNL-QVKFZJNVSA-N 1 3 419.928 3.876 20 0 HHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536096538 1008119130 /nfs/dbraw/zinc/11/91/30/1008119130.db2.gz TWIRPOZEOQKFGC-RUZDIDTESA-N 1 3 421.585 3.861 20 0 HHADHO CCCN1CCN(c2ccccc2CNc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000539921530 1008185331 /nfs/dbraw/zinc/18/53/31/1008185331.db2.gz DLSHSQUBTFRKCR-UHFFFAOYSA-N 1 3 422.617 3.787 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000518402428 1008289692 /nfs/dbraw/zinc/28/96/92/1008289692.db2.gz AHLYVVHASLTQBC-KDURUIRLSA-N 1 3 404.599 3.642 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000518402428 1008289694 /nfs/dbraw/zinc/28/96/94/1008289694.db2.gz AHLYVVHASLTQBC-KDURUIRLSA-N 1 3 404.599 3.642 20 0 HHADHO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248797 1008352392 /nfs/dbraw/zinc/35/23/92/1008352392.db2.gz UJDUFJLVNRYPCN-ZCNNSNEGSA-N 1 3 413.562 3.993 20 0 HHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264841 1008360362 /nfs/dbraw/zinc/36/03/62/1008360362.db2.gz LWTQDPYBCXTATN-ZWKOTPCHSA-N 1 3 401.576 3.559 20 0 HHADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264841 1008360368 /nfs/dbraw/zinc/36/03/68/1008360368.db2.gz LWTQDPYBCXTATN-ZWKOTPCHSA-N 1 3 401.576 3.559 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301487 1008372698 /nfs/dbraw/zinc/37/26/98/1008372698.db2.gz ZTIGUNRSIQFLEE-VWNXMTODSA-N 1 3 407.558 3.633 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301487 1008372700 /nfs/dbraw/zinc/37/27/00/1008372700.db2.gz ZTIGUNRSIQFLEE-VWNXMTODSA-N 1 3 407.558 3.633 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)CC2)CC1 ZINC000518670157 1008386024 /nfs/dbraw/zinc/38/60/24/1008386024.db2.gz YARAMTODMYONCM-DEOSSOPVSA-N 1 3 423.605 3.963 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468387 1008443097 /nfs/dbraw/zinc/44/30/97/1008443097.db2.gz NHMKHKBFFBZPOY-RPWUZVMVSA-N 1 3 421.585 3.638 20 0 HHADHO COc1cccc(N2CC[C@@H]([NH2+][C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)c1 ZINC000540474984 1008446173 /nfs/dbraw/zinc/44/61/73/1008446173.db2.gz IYHOZIWKAAERQK-AUSIDOKSSA-N 1 3 407.558 3.852 20 0 HHADHO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000519100178 1008532766 /nfs/dbraw/zinc/53/27/66/1008532766.db2.gz KRENTTAJYZCZCF-HSZRJFAPSA-N 1 3 414.594 3.950 20 0 HHADHO CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545562086 1008658584 /nfs/dbraw/zinc/65/85/84/1008658584.db2.gz TUIXMPWDEPZKIM-RUZDIDTESA-N 1 3 420.601 3.565 20 0 HHADHO CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545562086 1008658587 /nfs/dbraw/zinc/65/85/87/1008658587.db2.gz TUIXMPWDEPZKIM-RUZDIDTESA-N 1 3 420.601 3.565 20 0 HHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142750 1008710896 /nfs/dbraw/zinc/71/08/96/1008710896.db2.gz NZXSLGLNOQQYPL-RPBOFIJWSA-N 1 3 421.585 3.705 20 0 HHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507033 1008878423 /nfs/dbraw/zinc/87/84/23/1008878423.db2.gz JXMLGSWVAWXBLI-QGZVFWFLSA-N 1 3 410.553 3.549 20 0 HHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000519507033 1008878445 /nfs/dbraw/zinc/87/84/45/1008878445.db2.gz JXMLGSWVAWXBLI-QGZVFWFLSA-N 1 3 410.553 3.549 20 0 HHADHO COc1cccc2c1CCC[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862930 1009040377 /nfs/dbraw/zinc/04/03/77/1009040377.db2.gz JEAAZKMLSRZTJV-OFNKIYASSA-N 1 3 407.558 3.560 20 0 HHADHO COc1cccc2c1CCC[C@@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862930 1009040396 /nfs/dbraw/zinc/04/03/96/1009040396.db2.gz JEAAZKMLSRZTJV-OFNKIYASSA-N 1 3 407.558 3.560 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458603 1009041609 /nfs/dbraw/zinc/04/16/09/1009041609.db2.gz GYADJAKHYMLBEG-JZXOWHBKSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458603 1009041619 /nfs/dbraw/zinc/04/16/19/1009041619.db2.gz GYADJAKHYMLBEG-JZXOWHBKSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461622 1009048262 /nfs/dbraw/zinc/04/82/62/1009048262.db2.gz OKPCECKVSASATC-CVEARBPZSA-N 1 3 413.635 3.937 20 0 HHADHO C[C@@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461622 1009048286 /nfs/dbraw/zinc/04/82/86/1009048286.db2.gz OKPCECKVSASATC-CVEARBPZSA-N 1 3 413.635 3.937 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000520109289 1009266236 /nfs/dbraw/zinc/26/62/36/1009266236.db2.gz HIUMIBHVOJBOEL-NRFANRHFSA-N 1 3 415.528 3.767 20 0 HHADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000546619497 1009632709 /nfs/dbraw/zinc/63/27/09/1009632709.db2.gz WVGMEXNPRCAGIO-KZNAEPCWSA-N 1 3 407.986 3.561 20 0 HHADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733350 1009801416 /nfs/dbraw/zinc/80/14/16/1009801416.db2.gz AQXPSTIFUNQRCA-GHTZIAJQSA-N 1 3 409.496 3.574 20 0 HHADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733350 1009801434 /nfs/dbraw/zinc/80/14/34/1009801434.db2.gz AQXPSTIFUNQRCA-GHTZIAJQSA-N 1 3 409.496 3.574 20 0 HHADHO CCCN1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000546873443 1009835847 /nfs/dbraw/zinc/83/58/47/1009835847.db2.gz XFKQHXADEPOKGN-KRWDZBQOSA-N 1 3 422.411 3.684 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067540 1010086016 /nfs/dbraw/zinc/08/60/16/1010086016.db2.gz YBKORMXYKOJIQN-KDURUIRLSA-N 1 3 424.580 3.796 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067540 1010086033 /nfs/dbraw/zinc/08/60/33/1010086033.db2.gz YBKORMXYKOJIQN-KDURUIRLSA-N 1 3 424.580 3.796 20 0 HHADHO C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511429 1010334337 /nfs/dbraw/zinc/33/43/37/1010334337.db2.gz FUJKBGHDXLUKQY-MDNUFGMLSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511429 1010334350 /nfs/dbraw/zinc/33/43/50/1010334350.db2.gz FUJKBGHDXLUKQY-MDNUFGMLSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521584495 1010481731 /nfs/dbraw/zinc/48/17/31/1010481731.db2.gz NZIWWLOLSQRAGY-CKUXNOBLSA-N 1 3 409.549 3.989 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521584495 1010481744 /nfs/dbraw/zinc/48/17/44/1010481744.db2.gz NZIWWLOLSQRAGY-CKUXNOBLSA-N 1 3 409.549 3.989 20 0 HHADHO O=C(N1CC[C@H]([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000521690377 1010554146 /nfs/dbraw/zinc/55/41/46/1010554146.db2.gz NIVGVCRJKYOVBJ-FPOVZHCZSA-N 1 3 409.496 3.528 20 0 HHADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)o1 ZINC000521991083 1010752490 /nfs/dbraw/zinc/75/24/90/1010752490.db2.gz JAIBEQKRRVJCAG-QHCPKHFHSA-N 1 3 412.578 3.807 20 0 HHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000522048221 1010777719 /nfs/dbraw/zinc/77/77/19/1010777719.db2.gz IHLILJFRMAMJKO-FULJZNEXSA-N 1 3 418.585 3.756 20 0 HHADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000522048221 1010777724 /nfs/dbraw/zinc/77/77/24/1010777724.db2.gz IHLILJFRMAMJKO-FULJZNEXSA-N 1 3 418.585 3.756 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000522176733 1010848318 /nfs/dbraw/zinc/84/83/18/1010848318.db2.gz KPYFFFIMNDRRFW-SDUSCBPUSA-N 1 3 420.601 3.978 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000522176733 1010848327 /nfs/dbraw/zinc/84/83/27/1010848327.db2.gz KPYFFFIMNDRRFW-SDUSCBPUSA-N 1 3 420.601 3.978 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3Cc4ccccc4-c4ccccc4C3)CC2)CC1 ZINC000522408378 1010988792 /nfs/dbraw/zinc/98/87/92/1010988792.db2.gz BWYAMTGZVCRZIZ-UHFFFAOYSA-N 1 3 418.585 3.937 20 0 HHADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](CCC)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522433685 1011009221 /nfs/dbraw/zinc/00/92/21/1011009221.db2.gz CRHMHDWCOHYXGD-XZOQPEGZSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](CCC)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522433685 1011009226 /nfs/dbraw/zinc/00/92/26/1011009226.db2.gz CRHMHDWCOHYXGD-XZOQPEGZSA-N 1 3 400.611 3.805 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)CC2)CC1 ZINC000522692838 1011161608 /nfs/dbraw/zinc/16/16/08/1011161608.db2.gz QIZRXKUBPKYFSB-XMMPIXPASA-N 1 3 424.564 3.773 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522828264 1011263383 /nfs/dbraw/zinc/26/33/83/1011263383.db2.gz WFWRKTUBWOLURI-BWKNWUBXSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522828264 1011263396 /nfs/dbraw/zinc/26/33/96/1011263396.db2.gz WFWRKTUBWOLURI-BWKNWUBXSA-N 1 3 420.601 3.842 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCC[NH2+]C3CCCCC3)c(C)c2)CC1 ZINC000523023513 1011486676 /nfs/dbraw/zinc/48/66/76/1011486676.db2.gz NCALIDGAOLMDBY-UHFFFAOYSA-N 1 3 401.599 3.571 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303000 1011493296 /nfs/dbraw/zinc/49/32/96/1011493296.db2.gz RLOGSXJCOZCSIF-FZKQIMNGSA-N 1 3 400.792 3.705 20 0 HHADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000523219408 1011707511 /nfs/dbraw/zinc/70/75/11/1011707511.db2.gz XIWXWZZKPFIHLN-BJKOFHAPSA-N 1 3 423.605 3.689 20 0 HHADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000523219408 1011707523 /nfs/dbraw/zinc/70/75/23/1011707523.db2.gz XIWXWZZKPFIHLN-BJKOFHAPSA-N 1 3 423.605 3.689 20 0 HHADHO CC(C)(CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000523302487 1011781711 /nfs/dbraw/zinc/78/17/11/1011781711.db2.gz OMBUMFNGEBPJFM-NRFANRHFSA-N 1 3 411.512 3.822 20 0 HHADHO Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523446177 1011941431 /nfs/dbraw/zinc/94/14/31/1011941431.db2.gz ONYVQZYNAPZHPA-OAQYLSRUSA-N 1 3 410.562 3.722 20 0 HHADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000552057389 1012074225 /nfs/dbraw/zinc/07/42/25/1012074225.db2.gz RQCAQRCPTFALRR-QTJGBDASSA-N 1 3 405.590 3.726 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1I ZINC000536855948 1012089044 /nfs/dbraw/zinc/08/90/44/1012089044.db2.gz DAAWMXWAPNAVGM-BZUAXINKSA-N 1 3 416.347 3.831 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000536863113 1012099476 /nfs/dbraw/zinc/09/94/76/1012099476.db2.gz MEBRRRUTZZIKRM-HDICACEKSA-N 1 3 411.993 3.923 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000536876584 1012118904 /nfs/dbraw/zinc/11/89/04/1012118904.db2.gz OJVMHXZGABHPLC-NZQKXSOJSA-N 1 3 401.595 3.539 20 0 HHADHO Fc1ccc([C@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000541545295 1012331541 /nfs/dbraw/zinc/33/15/41/1012331541.db2.gz GJHYMVUNLVWDDM-DEOSSOPVSA-N 1 3 405.521 3.507 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000523732648 1012351036 /nfs/dbraw/zinc/35/10/36/1012351036.db2.gz PPJVELHZMQLFHY-OXQOHEQNSA-N 1 3 423.395 3.952 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)CC1 ZINC000541662009 1012490753 /nfs/dbraw/zinc/49/07/53/1012490753.db2.gz GCMRZFWNNOEKNO-UHFFFAOYSA-N 1 3 417.601 3.851 20 0 HHADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541759616 1012620726 /nfs/dbraw/zinc/62/07/26/1012620726.db2.gz UNIOXLFWRBJHEB-UHFFFAOYSA-N 1 3 409.622 3.845 20 0 HHADHO c1cn2c(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c(C3CC3)nc2s1 ZINC000537229636 1012662562 /nfs/dbraw/zinc/66/25/62/1012662562.db2.gz QFKAXFMCAWYSTN-UHFFFAOYSA-N 1 3 423.630 3.961 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915891 1012774051 /nfs/dbraw/zinc/77/40/51/1012774051.db2.gz FCPHYROYVWQFFE-MHECFPHRSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915891 1012774065 /nfs/dbraw/zinc/77/40/65/1012774065.db2.gz FCPHYROYVWQFFE-MHECFPHRSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000552899816 1012901263 /nfs/dbraw/zinc/90/12/63/1012901263.db2.gz VZFFSEIITQUYJV-HNNXBMFYSA-N 1 3 409.452 3.727 20 0 HHADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000542019466 1012910542 /nfs/dbraw/zinc/91/05/42/1012910542.db2.gz WWKDAWCSLZPVKP-UHFFFAOYSA-N 1 3 421.589 3.973 20 0 HHADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001168275525 1072156041 /nfs/dbraw/zinc/15/60/41/1072156041.db2.gz MHEOGESWKNEHAH-NRFANRHFSA-N 1 3 422.658 3.514 20 0 HHADHO CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000760670678 1072696753 /nfs/dbraw/zinc/69/67/53/1072696753.db2.gz QVNUDUGVFSMKRI-JOCHJYFZSA-N 1 3 401.595 3.788 20 0 HHADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC000645768852 1072731659 /nfs/dbraw/zinc/73/16/59/1072731659.db2.gz QGKXFAPTXSLSSM-GDAAHCPNSA-N 1 3 411.512 3.674 20 0 HHADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CN1Cc1ccccc1 ZINC000645768852 1072731674 /nfs/dbraw/zinc/73/16/74/1072731674.db2.gz QGKXFAPTXSLSSM-GDAAHCPNSA-N 1 3 411.512 3.674 20 0 HHADHO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001126870379 1072858321 /nfs/dbraw/zinc/85/83/21/1072858321.db2.gz RUADQYDYWCAYCI-LXGWOEDASA-N 1 3 421.585 3.763 20 0 HHADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000555112902 1073167789 /nfs/dbraw/zinc/16/77/89/1073167789.db2.gz BICGWTKBWGJJEJ-JOCHJYFZSA-N 1 3 414.981 3.907 20 0 HHADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786180 1074003328 /nfs/dbraw/zinc/00/33/28/1074003328.db2.gz FRJPAMGTSXXEMW-KRWDZBQOSA-N 1 3 424.427 3.848 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000590786180 1074003337 /nfs/dbraw/zinc/00/33/37/1074003337.db2.gz FRJPAMGTSXXEMW-KRWDZBQOSA-N 1 3 424.427 3.848 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000573486984 1074524934 /nfs/dbraw/zinc/52/49/34/1074524934.db2.gz DATWTJOUCRGLJM-UHFFFAOYSA-N 1 3 416.013 3.602 20 0 HHADHO CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470514 1075250791 /nfs/dbraw/zinc/25/07/91/1075250791.db2.gz RWCBJLKCQRWNOJ-MSOLQXFVSA-N 1 3 404.576 3.832 20 0 HHADHO FC1(F)CCN(c2cc(N3CCCC3)cc[nH+]2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906806 721715271 /nfs/dbraw/zinc/71/52/71/721715271.db2.gz OLUJKKIETRYWIC-JOCHJYFZSA-N 1 3 413.516 3.815 20 0 HHADHO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000303276679 971593432 /nfs/dbraw/zinc/59/34/32/971593432.db2.gz HRMLKORHNMNDPR-HNNXBMFYSA-N 1 3 412.405 3.847 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520125 971821406 /nfs/dbraw/zinc/82/14/06/971821406.db2.gz YVVZSEKSURFMEE-HYBUGGRVSA-N 1 3 424.589 3.652 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520125 971821412 /nfs/dbraw/zinc/82/14/12/971821412.db2.gz YVVZSEKSURFMEE-HYBUGGRVSA-N 1 3 424.589 3.652 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](CC)CC)cc2)CC1 ZINC000303724929 971978665 /nfs/dbraw/zinc/97/86/65/971978665.db2.gz SMMJHYSFLHGNTF-XMMPIXPASA-N 1 3 408.590 3.641 20 0 HHADHO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000303776757 972021372 /nfs/dbraw/zinc/02/13/72/972021372.db2.gz RRCJHKZYFKSXAN-MRXNPFEDSA-N 1 3 411.512 3.559 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621849 1013167511 /nfs/dbraw/zinc/16/75/11/1013167511.db2.gz JHYRFADUOQPVCO-BWKNWUBXSA-N 1 3 421.633 3.683 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000537621849 1013167518 /nfs/dbraw/zinc/16/75/18/1013167518.db2.gz JHYRFADUOQPVCO-BWKNWUBXSA-N 1 3 421.633 3.683 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)CC1 ZINC000553211093 1013172979 /nfs/dbraw/zinc/17/29/79/1013172979.db2.gz CSJSEEFLXUVKTP-HXUWFJFHSA-N 1 3 405.583 3.675 20 0 HHADHO C[NH+](C)CCOC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000537630332 1013184298 /nfs/dbraw/zinc/18/42/98/1013184298.db2.gz PZYJAMSJLVRSPC-UHFFFAOYSA-N 1 3 419.573 3.536 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000537660066 1013220676 /nfs/dbraw/zinc/22/06/76/1013220676.db2.gz XGDXKXVMTOQTCV-HDICACEKSA-N 1 3 400.542 3.927 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000537841438 1013403287 /nfs/dbraw/zinc/40/32/87/1013403287.db2.gz LLJXFXPDEMCWTQ-XMMPIXPASA-N 1 3 406.574 3.814 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCSc3ccc(Cl)cc3)CC2)CC1 ZINC000050800133 964402219 /nfs/dbraw/zinc/40/22/19/964402219.db2.gz IGSUKFFWNOOQOY-UHFFFAOYSA-N 1 3 410.027 3.887 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000051758397 964689502 /nfs/dbraw/zinc/68/95/02/964689502.db2.gz CERGTDKDYIENCR-UHFFFAOYSA-N 1 3 406.574 3.634 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058879975 965937683 /nfs/dbraw/zinc/93/76/83/965937683.db2.gz VEZIQJMSBXCQGI-NRFANRHFSA-N 1 3 415.528 3.767 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058879975 965937690 /nfs/dbraw/zinc/93/76/90/965937690.db2.gz VEZIQJMSBXCQGI-NRFANRHFSA-N 1 3 415.528 3.767 20 0 HHADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058375 1013634939 /nfs/dbraw/zinc/63/49/39/1013634939.db2.gz AIDKONYGMWQVMI-CEXWTWQISA-N 1 3 415.603 3.663 20 0 HHADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058375 1013634942 /nfs/dbraw/zinc/63/49/42/1013634942.db2.gz AIDKONYGMWQVMI-CEXWTWQISA-N 1 3 415.603 3.663 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC000056846307 966490695 /nfs/dbraw/zinc/49/06/95/966490695.db2.gz YXALWGDNJCORFS-UHFFFAOYSA-N 1 3 400.567 3.702 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000056846307 966490701 /nfs/dbraw/zinc/49/07/01/966490701.db2.gz YXALWGDNJCORFS-UHFFFAOYSA-N 1 3 400.567 3.702 20 0 HHADHO CN(CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)Cc1ccccc1 ZINC000061791166 966555849 /nfs/dbraw/zinc/55/58/49/966555849.db2.gz JUNNMVVNKZVZSG-UHFFFAOYSA-N 1 3 412.603 3.531 20 0 HHADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000061793170 966556829 /nfs/dbraw/zinc/55/68/29/966556829.db2.gz YXPUUTBZWGTHLX-UHFFFAOYSA-N 1 3 412.603 3.661 20 0 HHADHO CC[NH+](CC)CCN(CC(C)C)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063149314 966763071 /nfs/dbraw/zinc/76/30/71/966763071.db2.gz XPPSATQUGDNFJQ-UHFFFAOYSA-N 1 3 404.668 3.825 20 0 HHADHO CC(C)C[NH+]1CCC(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000063661780 966920740 /nfs/dbraw/zinc/92/07/40/966920740.db2.gz KKJRISUEDCQRFN-UHFFFAOYSA-N 1 3 413.528 3.964 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000064229449 967095135 /nfs/dbraw/zinc/09/51/35/967095135.db2.gz BDKBYGDAKVZJHK-UHFFFAOYSA-N 1 3 400.542 3.551 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000064229449 967095148 /nfs/dbraw/zinc/09/51/48/967095148.db2.gz BDKBYGDAKVZJHK-UHFFFAOYSA-N 1 3 400.542 3.551 20 0 HHADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000064251146 967105393 /nfs/dbraw/zinc/10/53/93/967105393.db2.gz KCZODRZCPWRMTR-UHFFFAOYSA-N 1 3 418.651 3.868 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064644570 967258922 /nfs/dbraw/zinc/25/89/22/967258922.db2.gz RQAKVUOBNUXRDY-RXVVDRJESA-N 1 3 400.592 3.562 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064644570 967258933 /nfs/dbraw/zinc/25/89/33/967258933.db2.gz RQAKVUOBNUXRDY-RXVVDRJESA-N 1 3 400.592 3.562 20 0 HHADHO O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226335 1013775563 /nfs/dbraw/zinc/77/55/63/1013775563.db2.gz PQAJTLSASWUTKG-ZCYQVOJMSA-N 1 3 421.585 3.656 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000072049459 968959234 /nfs/dbraw/zinc/95/92/34/968959234.db2.gz SXNSPSMJXJWROR-FQEVSTJZSA-N 1 3 400.592 3.836 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000072049459 968959240 /nfs/dbraw/zinc/95/92/40/968959240.db2.gz SXNSPSMJXJWROR-FQEVSTJZSA-N 1 3 400.592 3.836 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000097549221 969157957 /nfs/dbraw/zinc/15/79/57/969157957.db2.gz DKMDRTAYYQDUGH-DNQXCXABSA-N 1 3 423.576 3.719 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000097549221 969157963 /nfs/dbraw/zinc/15/79/63/969157963.db2.gz DKMDRTAYYQDUGH-DNQXCXABSA-N 1 3 423.576 3.719 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000109900685 969589813 /nfs/dbraw/zinc/58/98/13/969589813.db2.gz YIHIUSKYCCNZCT-UHFFFAOYSA-N 1 3 400.611 3.601 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000109900685 969589820 /nfs/dbraw/zinc/58/98/20/969589820.db2.gz YIHIUSKYCCNZCT-UHFFFAOYSA-N 1 3 400.611 3.601 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000116393336 969890477 /nfs/dbraw/zinc/89/04/77/969890477.db2.gz WFWRKTUBWOLURI-SQJMNOBHSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000116393336 969890481 /nfs/dbraw/zinc/89/04/81/969890481.db2.gz WFWRKTUBWOLURI-SQJMNOBHSA-N 1 3 420.601 3.842 20 0 HHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116437219 969894944 /nfs/dbraw/zinc/89/49/44/969894944.db2.gz WJRANRZSEVPQCD-JOCHJYFZSA-N 1 3 424.614 3.790 20 0 HHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000116437219 969894953 /nfs/dbraw/zinc/89/49/53/969894953.db2.gz WJRANRZSEVPQCD-JOCHJYFZSA-N 1 3 424.614 3.790 20 0 HHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000228631475 970125538 /nfs/dbraw/zinc/12/55/38/970125538.db2.gz DUBYFEPKEWWISM-TZIWHRDSSA-N 1 3 411.512 3.678 20 0 HHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000228631475 970125541 /nfs/dbraw/zinc/12/55/41/970125541.db2.gz DUBYFEPKEWWISM-TZIWHRDSSA-N 1 3 411.512 3.678 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cc(Br)cs2)cc1 ZINC000236591770 970144290 /nfs/dbraw/zinc/14/42/90/970144290.db2.gz BQEZHRRIUBQMIW-UHFFFAOYSA-N 1 3 422.392 3.626 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000236849606 970180097 /nfs/dbraw/zinc/18/00/97/970180097.db2.gz NSUWXKXJVRGPFE-HXUWFJFHSA-N 1 3 423.630 3.776 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000236948094 970192695 /nfs/dbraw/zinc/19/26/95/970192695.db2.gz YRNYRLKSWPKREC-SFHVURJKSA-N 1 3 418.029 3.565 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 ZINC000236973362 970197724 /nfs/dbraw/zinc/19/77/24/970197724.db2.gz WVMRJMQNWSOLGX-IBGZPJMESA-N 1 3 415.553 3.529 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@H](C)O1 ZINC000237610273 970322273 /nfs/dbraw/zinc/32/22/73/970322273.db2.gz GYAQZGFDVRFXHH-KDURUIRLSA-N 1 3 417.594 3.963 20 0 HHADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000303951806 972533833 /nfs/dbraw/zinc/53/38/33/972533833.db2.gz TYVFGDWGTBAHSU-MRXNPFEDSA-N 1 3 411.512 3.874 20 0 HHADHO COc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1Br ZINC000397579352 972871708 /nfs/dbraw/zinc/87/17/08/972871708.db2.gz DKEQBCVXRZJVPD-UHFFFAOYSA-N 1 3 419.363 3.574 20 0 HHADHO CCc1ccc([C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000409573813 973022705 /nfs/dbraw/zinc/02/27/05/973022705.db2.gz GZWUVLMFYGRJAV-VWLOTQADSA-N 1 3 422.617 3.570 20 0 HHADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000409774440 973251646 /nfs/dbraw/zinc/25/16/46/973251646.db2.gz PGVGVOZUFNTMKR-QGZVFWFLSA-N 1 3 411.512 3.875 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377206 973974913 /nfs/dbraw/zinc/97/49/13/973974913.db2.gz YPMUVJFALHUZJC-BWKNWUBXSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377206 973974923 /nfs/dbraw/zinc/97/49/23/973974923.db2.gz YPMUVJFALHUZJC-BWKNWUBXSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000426769402 974646096 /nfs/dbraw/zinc/64/60/96/974646096.db2.gz INOZKHQPWPOAFB-WOJBJXKFSA-N 1 3 412.578 3.881 20 0 HHADHO Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000427932121 975355870 /nfs/dbraw/zinc/35/58/70/975355870.db2.gz NWBFKILDZOAQKM-JOCHJYFZSA-N 1 3 409.578 3.697 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331785 976596570 /nfs/dbraw/zinc/59/65/70/976596570.db2.gz OUEMTZQTWKEQCR-VWLOTQADSA-N 1 3 421.585 3.692 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1)C1CC1 ZINC000429331785 976596580 /nfs/dbraw/zinc/59/65/80/976596580.db2.gz OUEMTZQTWKEQCR-VWLOTQADSA-N 1 3 421.585 3.692 20 0 HHADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@@H+]1C ZINC000429494180 976752019 /nfs/dbraw/zinc/75/20/19/976752019.db2.gz RAIZHAVNBXKPQW-STZQEDGTSA-N 1 3 400.611 3.584 20 0 HHADHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC[N@H+]1C ZINC000429494180 976752024 /nfs/dbraw/zinc/75/20/24/976752024.db2.gz RAIZHAVNBXKPQW-STZQEDGTSA-N 1 3 400.611 3.584 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)CC1 ZINC000430571043 977637568 /nfs/dbraw/zinc/63/75/68/977637568.db2.gz LBJLPDOTEQWNPA-BJKOFHAPSA-N 1 3 406.574 3.554 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322755 978207806 /nfs/dbraw/zinc/20/78/06/978207806.db2.gz YAEIUTZBPVZTKC-QPPBQGQZSA-N 1 3 420.601 3.611 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322755 978207813 /nfs/dbraw/zinc/20/78/13/978207813.db2.gz YAEIUTZBPVZTKC-QPPBQGQZSA-N 1 3 420.601 3.611 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322756 978207891 /nfs/dbraw/zinc/20/78/91/978207891.db2.gz YAEIUTZBPVZTKC-URXFXBBRSA-N 1 3 420.601 3.611 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000431322756 978207898 /nfs/dbraw/zinc/20/78/98/978207898.db2.gz YAEIUTZBPVZTKC-URXFXBBRSA-N 1 3 420.601 3.611 20 0 HHADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050379 979052337 /nfs/dbraw/zinc/05/23/37/979052337.db2.gz BKTJMXVVYUSIKI-JOCHJYFZSA-N 1 3 405.586 3.722 20 0 HHADHO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092859 980633060 /nfs/dbraw/zinc/63/30/60/980633060.db2.gz ASYVPUXHCYVGED-RBBKRZOGSA-N 1 3 424.593 3.634 20 0 HHADHO Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092859 980633065 /nfs/dbraw/zinc/63/30/65/980633065.db2.gz ASYVPUXHCYVGED-RBBKRZOGSA-N 1 3 424.593 3.634 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448460555 981793983 /nfs/dbraw/zinc/79/39/83/981793983.db2.gz CTSVCKMCWCSVPX-UFYCRDLUSA-N 1 3 406.640 3.893 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448460555 981793988 /nfs/dbraw/zinc/79/39/88/981793988.db2.gz CTSVCKMCWCSVPX-UFYCRDLUSA-N 1 3 406.640 3.893 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475856 981819181 /nfs/dbraw/zinc/81/91/81/981819181.db2.gz WSIMCWXPAFJXGA-GMAHTHKFSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475856 981819191 /nfs/dbraw/zinc/81/91/91/981819191.db2.gz WSIMCWXPAFJXGA-GMAHTHKFSA-N 1 3 400.611 3.660 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000460561291 982347325 /nfs/dbraw/zinc/34/73/25/982347325.db2.gz WCNXQFZYSOKQDH-QORCZRPOSA-N 1 3 418.585 3.595 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000460561291 982347331 /nfs/dbraw/zinc/34/73/31/982347331.db2.gz WCNXQFZYSOKQDH-QORCZRPOSA-N 1 3 418.585 3.595 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438348440 982737165 /nfs/dbraw/zinc/73/71/65/982737165.db2.gz XLWIKHURNJUQQJ-OAQYLSRUSA-N 1 3 402.583 3.683 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438348440 982737170 /nfs/dbraw/zinc/73/71/70/982737170.db2.gz XLWIKHURNJUQQJ-OAQYLSRUSA-N 1 3 402.583 3.683 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230503 983320778 /nfs/dbraw/zinc/32/07/78/983320778.db2.gz SAOLMVHWKIZKHE-UYAOXDASSA-N 1 3 400.592 3.657 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756936 983526571 /nfs/dbraw/zinc/52/65/71/983526571.db2.gz MHWIRZRWXYTKCW-SIKLNZKXSA-N 1 3 424.564 3.775 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756936 983526576 /nfs/dbraw/zinc/52/65/76/983526576.db2.gz MHWIRZRWXYTKCW-SIKLNZKXSA-N 1 3 424.564 3.775 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765063 983529521 /nfs/dbraw/zinc/52/95/21/983529521.db2.gz DRKCYOLPWHJVDG-NFBKMPQASA-N 1 3 406.574 3.635 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765063 983529526 /nfs/dbraw/zinc/52/95/26/983529526.db2.gz DRKCYOLPWHJVDG-NFBKMPQASA-N 1 3 406.574 3.635 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765067 983529604 /nfs/dbraw/zinc/52/96/04/983529604.db2.gz DRKCYOLPWHJVDG-OFNKIYASSA-N 1 3 406.574 3.635 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765067 983529605 /nfs/dbraw/zinc/52/96/05/983529605.db2.gz DRKCYOLPWHJVDG-OFNKIYASSA-N 1 3 406.574 3.635 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194381 983678219 /nfs/dbraw/zinc/67/82/19/983678219.db2.gz YMFPHFIEHLBMOJ-CYFREDJKSA-N 1 3 423.605 3.772 20 0 HHADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000441356760 984204830 /nfs/dbraw/zinc/20/48/30/984204830.db2.gz MBGUYFCAUKGXDA-HNNXBMFYSA-N 1 3 400.336 3.723 20 0 HHADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000441356760 984204833 /nfs/dbraw/zinc/20/48/33/984204833.db2.gz MBGUYFCAUKGXDA-HNNXBMFYSA-N 1 3 400.336 3.723 20 0 HHADHO COc1cc(OC)cc(Oc2ccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2)c1 ZINC000441389418 984225727 /nfs/dbraw/zinc/22/57/27/984225727.db2.gz ZKZUCCMTGTXLMM-UHFFFAOYSA-N 1 3 413.562 3.612 20 0 HHADHO Cc1cccc(N2CCN(CCC(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CC2)c1 ZINC000461958210 984950743 /nfs/dbraw/zinc/95/07/43/984950743.db2.gz MHUVMTAVFWJLRG-UHFFFAOYSA-N 1 3 420.601 3.784 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442627706 985103596 /nfs/dbraw/zinc/10/35/96/985103596.db2.gz RHYUIXIGOOGTDA-UHFFFAOYSA-N 1 3 416.610 3.932 20 0 HHADHO COCCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000442871882 985253336 /nfs/dbraw/zinc/25/33/36/985253336.db2.gz IPYNETYQDCCLOB-IBGZPJMESA-N 1 3 412.416 3.532 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000467980525 985625545 /nfs/dbraw/zinc/62/55/45/985625545.db2.gz ZCIXFDIJGGGPMO-FYYLOGMGSA-N 1 3 413.606 3.706 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000467980525 985625551 /nfs/dbraw/zinc/62/55/51/985625551.db2.gz ZCIXFDIJGGGPMO-FYYLOGMGSA-N 1 3 413.606 3.706 20 0 HHADHO CC1CCN(CCC[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccc(F)cc2)CC1 ZINC000462819083 985744996 /nfs/dbraw/zinc/74/49/96/985744996.db2.gz WOKPHDWAIXHSJX-NRFANRHFSA-N 1 3 410.599 3.793 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(Cc4ccccc4)CCCCC3)CC2)CC1 ZINC000468090633 985749386 /nfs/dbraw/zinc/74/93/86/985749386.db2.gz WGNJKPCLXLXNOH-UHFFFAOYSA-N 1 3 412.622 3.790 20 0 HHADHO CC(C)(C)OC(=O)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000463060103 986016932 /nfs/dbraw/zinc/01/69/32/986016932.db2.gz VMSZWGUVENCOEU-QHCPKHFHSA-N 1 3 410.558 3.888 20 0 HHADHO CC(C)(C)OC(=O)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000463060103 986016947 /nfs/dbraw/zinc/01/69/47/986016947.db2.gz VMSZWGUVENCOEU-QHCPKHFHSA-N 1 3 410.558 3.888 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133847 986100070 /nfs/dbraw/zinc/10/00/70/986100070.db2.gz WCYHTCRCEPRQHI-OIBXWCBGSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133847 986100074 /nfs/dbraw/zinc/10/00/74/986100074.db2.gz WCYHTCRCEPRQHI-OIBXWCBGSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133847 986100080 /nfs/dbraw/zinc/10/00/80/986100080.db2.gz WCYHTCRCEPRQHI-OIBXWCBGSA-N 1 3 411.590 3.949 20 0 HHADHO Fc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)cc1 ZINC000463303243 986270636 /nfs/dbraw/zinc/27/06/36/986270636.db2.gz QQFWESJJDOQJAU-SBZWWDHJSA-N 1 3 423.576 3.984 20 0 HHADHO CC(C)Oc1cccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000469759725 987413571 /nfs/dbraw/zinc/41/35/71/987413571.db2.gz CHUHOTVUJUJCSJ-NHCUHLMSSA-N 1 3 423.601 3.836 20 0 HHADHO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469764594 987417116 /nfs/dbraw/zinc/41/71/16/987417116.db2.gz OQXIUPKTEAUYOK-KKPNIWNPSA-N 1 3 423.601 3.961 20 0 HHADHO CCOCc1ccccc1CNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469787009 987432315 /nfs/dbraw/zinc/43/23/15/987432315.db2.gz MSXYZNRLXOLQPZ-NHCUHLMSSA-N 1 3 423.601 3.586 20 0 HHADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000469869181 987506750 /nfs/dbraw/zinc/50/67/50/987506750.db2.gz COOOHTNZUWGDLF-SFHVURJKSA-N 1 3 407.986 3.564 20 0 HHADHO Cn1ccnc1COc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470994157 989059553 /nfs/dbraw/zinc/05/95/53/989059553.db2.gz LPCSHGPIGHODSW-ZRZAMGCNSA-N 1 3 402.542 3.563 20 0 HHADHO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470994157 989059563 /nfs/dbraw/zinc/05/95/63/989059563.db2.gz LPCSHGPIGHODSW-ZRZAMGCNSA-N 1 3 402.542 3.563 20 0 HHADHO COC(=O)c1ccc(OCC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000464859586 989114021 /nfs/dbraw/zinc/11/40/21/989114021.db2.gz YLEQELYBXSGCSP-IBGZPJMESA-N 1 3 416.949 3.959 20 0 HHADHO COC(=O)c1ccc(OCC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000464859586 989114026 /nfs/dbraw/zinc/11/40/26/989114026.db2.gz YLEQELYBXSGCSP-IBGZPJMESA-N 1 3 416.949 3.959 20 0 HHADHO C[NH+](C)CCOCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000471551772 989752590 /nfs/dbraw/zinc/75/25/90/989752590.db2.gz OBQFNMYASWSULD-UHFFFAOYSA-N 1 3 410.345 3.914 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000465429443 989774322 /nfs/dbraw/zinc/77/43/22/989774322.db2.gz NSHROEFOTLANPM-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000465429443 989774326 /nfs/dbraw/zinc/77/43/26/989774326.db2.gz NSHROEFOTLANPM-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CC1CCN([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000465433167 989779444 /nfs/dbraw/zinc/77/94/44/989779444.db2.gz MMPJQOSJAHKPDJ-NXEWRWPSSA-N 1 3 404.624 3.836 20 0 HHADHO CC1CCN([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000465433167 989779448 /nfs/dbraw/zinc/77/94/48/989779448.db2.gz MMPJQOSJAHKPDJ-NXEWRWPSSA-N 1 3 404.624 3.836 20 0 HHADHO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465806792 990189415 /nfs/dbraw/zinc/18/94/15/990189415.db2.gz HBVWGIPSVLSCQS-LAUBAEHRSA-N 1 3 402.583 3.629 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000466400987 991694464 /nfs/dbraw/zinc/69/44/64/991694464.db2.gz XOUCBBYPDNSRMM-GBXCKJPGSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466530742 991829306 /nfs/dbraw/zinc/82/93/06/991829306.db2.gz RRIJTJXXWDPZBD-ZJSXRUAMSA-N 1 3 420.601 3.955 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000466535604 991836876 /nfs/dbraw/zinc/83/68/76/991836876.db2.gz GSIPPHHJZFMKKV-RDPSFJRHSA-N 1 3 408.590 3.943 20 0 HHADHO C[N@H+](CCOc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347288 992667711 /nfs/dbraw/zinc/66/77/11/992667711.db2.gz NVRWYAAFKBQVON-XMMPIXPASA-N 1 3 413.537 3.951 20 0 HHADHO C[N@@H+](CCOc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347288 992667715 /nfs/dbraw/zinc/66/77/15/992667715.db2.gz NVRWYAAFKBQVON-XMMPIXPASA-N 1 3 413.537 3.951 20 0 HHADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000472306800 993319619 /nfs/dbraw/zinc/31/96/19/993319619.db2.gz UXBZDNUBWMZSRB-UHFFFAOYSA-N 1 3 404.624 3.618 20 0 HHADHO CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472695766 993616622 /nfs/dbraw/zinc/61/66/22/993616622.db2.gz CYGRUSNJDLTYER-QFIPXVFZSA-N 1 3 410.562 3.755 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757913 993623822 /nfs/dbraw/zinc/62/38/22/993623822.db2.gz REMDZNYMRAMQOA-GOSISDBHSA-N 1 3 403.592 3.628 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757913 993623836 /nfs/dbraw/zinc/62/38/36/993623836.db2.gz REMDZNYMRAMQOA-GOSISDBHSA-N 1 3 403.592 3.628 20 0 HHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780544 993647287 /nfs/dbraw/zinc/64/72/87/993647287.db2.gz QUMRUYGVYHDMHN-RCXJIHSJSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780544 993647293 /nfs/dbraw/zinc/64/72/93/993647293.db2.gz QUMRUYGVYHDMHN-RCXJIHSJSA-N 1 3 407.602 3.869 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000480794511 993663608 /nfs/dbraw/zinc/66/36/08/993663608.db2.gz SJVZZQPXSLNKSK-ZJSXRUAMSA-N 1 3 412.622 3.646 20 0 HHADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000481295222 994110927 /nfs/dbraw/zinc/11/09/27/994110927.db2.gz NYJBXZWCQBSVRX-GOSISDBHSA-N 1 3 403.592 3.630 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000481299227 994114627 /nfs/dbraw/zinc/11/46/27/994114627.db2.gz LINAGAGQTVSMPK-SFHVURJKSA-N 1 3 401.576 3.682 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329572 994149207 /nfs/dbraw/zinc/14/92/07/994149207.db2.gz IBPZUPNOUDBTCP-AUSIDOKSSA-N 1 3 409.578 3.641 20 0 HHADHO Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331579 994151113 /nfs/dbraw/zinc/15/11/13/994151113.db2.gz HLXYNLQBXWXWCZ-MOPGFXCFSA-N 1 3 403.592 3.637 20 0 HHADHO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(Nc2ccncc2)cc1 ZINC000473529233 994386829 /nfs/dbraw/zinc/38/68/29/994386829.db2.gz VFWSMHORVZOOIK-UHFFFAOYSA-N 1 3 418.463 3.782 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824154 994752752 /nfs/dbraw/zinc/75/27/52/994752752.db2.gz UHLZRYBTZHWWFX-NRFANRHFSA-N 1 3 423.605 3.861 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824154 994752762 /nfs/dbraw/zinc/75/27/62/994752762.db2.gz UHLZRYBTZHWWFX-NRFANRHFSA-N 1 3 423.605 3.861 20 0 HHADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000481972939 994865768 /nfs/dbraw/zinc/86/57/68/994865768.db2.gz LFIPWBMKRJEUDS-IBGZPJMESA-N 1 3 407.624 3.776 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146937 995098354 /nfs/dbraw/zinc/09/83/54/995098354.db2.gz QGUNKFNVPPUFKR-IRXDYDNUSA-N 1 3 407.605 3.682 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146937 995098368 /nfs/dbraw/zinc/09/83/68/995098368.db2.gz QGUNKFNVPPUFKR-IRXDYDNUSA-N 1 3 407.605 3.682 20 0 HHADHO COc1ccc2c(c1)[C@@H](NCc1cccc(OCC[N@H+](C)C3CCOCC3)c1)CC2 ZINC000482258594 995236466 /nfs/dbraw/zinc/23/64/66/995236466.db2.gz FSNGQJCWVBBBCC-VWLOTQADSA-N 1 3 410.558 3.962 20 0 HHADHO COc1ccc2c(c1)[C@@H](NCc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000482258594 995236476 /nfs/dbraw/zinc/23/64/76/995236476.db2.gz FSNGQJCWVBBBCC-VWLOTQADSA-N 1 3 410.558 3.962 20 0 HHADHO CCO[C@@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000482514340 995524600 /nfs/dbraw/zinc/52/46/00/995524600.db2.gz UEHAREJSJPGEHM-SKBVVQJISA-N 1 3 423.601 3.932 20 0 HHADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541925 995550508 /nfs/dbraw/zinc/55/05/08/995550508.db2.gz HPPUVCWPMSTURQ-GHTZIAJQSA-N 1 3 413.537 3.643 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643714 995638819 /nfs/dbraw/zinc/63/88/19/995638819.db2.gz QGWQQJPTZHOXKV-YQOVMPOYSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000482643714 995638823 /nfs/dbraw/zinc/63/88/23/995638823.db2.gz QGWQQJPTZHOXKV-YQOVMPOYSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815305 995768347 /nfs/dbraw/zinc/76/83/47/995768347.db2.gz NDFIUNBJVZVHMZ-JXFKEZNVSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815305 995768355 /nfs/dbraw/zinc/76/83/55/995768355.db2.gz NDFIUNBJVZVHMZ-JXFKEZNVSA-N 1 3 417.500 3.836 20 0 HHADHO COc1ccccc1-c1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482886352 995817871 /nfs/dbraw/zinc/81/78/71/995817871.db2.gz JDDXMSDYCVLQEP-IBGZPJMESA-N 1 3 409.574 3.956 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475012537 995869011 /nfs/dbraw/zinc/86/90/11/995869011.db2.gz IPTBVZKADYIMAH-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO C[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139451 995948143 /nfs/dbraw/zinc/94/81/43/995948143.db2.gz NMANSPRQQCMTHE-CYFREDJKSA-N 1 3 402.542 3.818 20 0 HHADHO Cc1cccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1C ZINC000483126829 995991206 /nfs/dbraw/zinc/99/12/06/995991206.db2.gz LMKWXOYYLYXTQF-PMACEKPBSA-N 1 3 417.619 3.945 20 0 HHADHO OC[C@]1(Cc2ccccc2)CCC[N@H+]1CCCN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288888 /nfs/dbraw/zinc/28/88/88/996288888.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 1 3 422.613 3.516 20 0 HHADHO OC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288893 /nfs/dbraw/zinc/28/88/93/996288893.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 1 3 422.613 3.516 20 0 HHADHO OC[C@]1(Cc2ccccc2)CCCN1CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288900 /nfs/dbraw/zinc/28/89/00/996288900.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 1 3 422.613 3.516 20 0 HHADHO OC[C@]1(Cc2ccccc2)CCCN1CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668416 996288905 /nfs/dbraw/zinc/28/89/05/996288905.db2.gz QTISGTIDNITHFG-MKPDMIMOSA-N 1 3 422.613 3.516 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483680160 996325417 /nfs/dbraw/zinc/32/54/17/996325417.db2.gz GECHZBKUBPQSEK-DEOSSOPVSA-N 1 3 424.589 3.796 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483680160 996325423 /nfs/dbraw/zinc/32/54/23/996325423.db2.gz GECHZBKUBPQSEK-DEOSSOPVSA-N 1 3 424.589 3.796 20 0 HHADHO Cc1ncc([C@H](C)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000483722468 996349369 /nfs/dbraw/zinc/34/93/69/996349369.db2.gz DJBRNPWGFJWKKR-AWEZNQCLSA-N 1 3 407.484 3.715 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)CC1 ZINC000483942603 996480743 /nfs/dbraw/zinc/48/07/43/996480743.db2.gz JFWZRIXAKGCLQJ-UHFFFAOYSA-N 1 3 420.557 3.598 20 0 HHADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476013110 996541711 /nfs/dbraw/zinc/54/17/11/996541711.db2.gz YYXILNJDDBLHQL-UHFFFAOYSA-N 1 3 404.574 3.696 20 0 HHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000484483945 996804814 /nfs/dbraw/zinc/80/48/14/996804814.db2.gz HKCIWVSOEXNDJA-QGZVFWFLSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000476871372 997447404 /nfs/dbraw/zinc/44/74/04/997447404.db2.gz DDGXYIOIMSQKNG-YKSBVNFPSA-N 1 3 406.574 3.745 20 0 HHADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000486035120 998482132 /nfs/dbraw/zinc/48/21/32/998482132.db2.gz IHILJABITWOKJY-UHFFFAOYSA-N 1 3 408.546 3.815 20 0 HHADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000477955245 998679957 /nfs/dbraw/zinc/67/99/57/998679957.db2.gz ONNRXBVCRBWUHK-GZNCHQMQSA-N 1 3 409.496 3.574 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024708 999039831 /nfs/dbraw/zinc/03/98/31/999039831.db2.gz ADNAMLYLFKREKD-QDSKXPNFSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024708 999039833 /nfs/dbraw/zinc/03/98/33/999039833.db2.gz ADNAMLYLFKREKD-QDSKXPNFSA-N 1 3 408.590 3.808 20 0 HHADHO CC(C)C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051474 999267964 /nfs/dbraw/zinc/26/79/64/999267964.db2.gz AALLUXFMDWSNGH-IEBWSBKVSA-N 1 3 410.400 3.713 20 0 HHADHO CC(C)C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051474 999267967 /nfs/dbraw/zinc/26/79/67/999267967.db2.gz AALLUXFMDWSNGH-IEBWSBKVSA-N 1 3 410.400 3.713 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073722 999280932 /nfs/dbraw/zinc/28/09/32/999280932.db2.gz YEJFYKRXEYOGRM-FOIQADDNSA-N 1 3 412.391 3.903 20 0 HHADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438983 999417665 /nfs/dbraw/zinc/41/76/65/999417665.db2.gz PIHZHTWHBWSRBI-ILBGXUMGSA-N 1 3 416.569 3.996 20 0 HHADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438983 999417669 /nfs/dbraw/zinc/41/76/69/999417669.db2.gz PIHZHTWHBWSRBI-ILBGXUMGSA-N 1 3 416.569 3.996 20 0 HHADHO CCS(=O)(=O)c1c(Cl)cccc1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000479447212 999421716 /nfs/dbraw/zinc/42/17/16/999421716.db2.gz BFBKGLOAOOKGPK-UHFFFAOYSA-N 1 3 407.967 3.535 20 0 HHADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000488409758 999479023 /nfs/dbraw/zinc/47/90/23/999479023.db2.gz XALLVERTJZDKCJ-SFHVURJKSA-N 1 3 410.002 3.620 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000489400160 999759406 /nfs/dbraw/zinc/75/94/06/999759406.db2.gz JNFCOBFDGSOLCC-OYDLWJJNSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000489400160 999759407 /nfs/dbraw/zinc/75/94/07/999759407.db2.gz JNFCOBFDGSOLCC-OYDLWJJNSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000489403530 999759724 /nfs/dbraw/zinc/75/97/24/999759724.db2.gz NSQNZGHSPRUZRH-XMMPIXPASA-N 1 3 408.590 3.904 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480449557 999801759 /nfs/dbraw/zinc/80/17/59/999801759.db2.gz ZIHLVILMLIGAQS-IBGZPJMESA-N 1 3 415.603 3.919 20 0 HHADHO Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455699 999803188 /nfs/dbraw/zinc/80/31/88/999803188.db2.gz WBIHZKUIGXEFEW-SQJMNOBHSA-N 1 3 411.590 3.660 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612511 999840958 /nfs/dbraw/zinc/84/09/58/999840958.db2.gz PCVCLOQGRHLGNT-RTBURBONSA-N 1 3 415.603 3.677 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612511 999840959 /nfs/dbraw/zinc/84/09/59/999840959.db2.gz PCVCLOQGRHLGNT-RTBURBONSA-N 1 3 415.603 3.677 20 0 HHADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000480632424 999846012 /nfs/dbraw/zinc/84/60/12/999846012.db2.gz CCIWGGBWGLJINI-IBGZPJMESA-N 1 3 404.624 3.664 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489896261 999857784 /nfs/dbraw/zinc/85/77/84/999857784.db2.gz ITECRFAVVCZAFQ-NRFANRHFSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489896261 999857788 /nfs/dbraw/zinc/85/77/88/999857788.db2.gz ITECRFAVVCZAFQ-NRFANRHFSA-N 1 3 400.611 3.805 20 0 HHADHO Cc1ccc([C@H](CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)N2CCCC2)cc1 ZINC000490620823 999985454 /nfs/dbraw/zinc/98/54/54/999985454.db2.gz DUFOUNDUGSMRDT-QHCPKHFHSA-N 1 3 410.562 3.894 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000490953761 1000027014 /nfs/dbraw/zinc/02/70/14/1000027014.db2.gz XBNZOTFVRRSMOR-RTBURBONSA-N 1 3 404.624 3.662 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000490953761 1000027016 /nfs/dbraw/zinc/02/70/16/1000027016.db2.gz XBNZOTFVRRSMOR-RTBURBONSA-N 1 3 404.624 3.662 20 0 HHADHO CC1CCN([C@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c2ccccc2)CC1 ZINC000491446097 1000075666 /nfs/dbraw/zinc/07/56/66/1000075666.db2.gz KWQVGOCDUWAABM-JOCHJYFZSA-N 1 3 424.593 3.745 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000493011900 1000154209 /nfs/dbraw/zinc/15/42/09/1000154209.db2.gz WNAZZQJSFHJEFA-QHCPKHFHSA-N 1 3 419.972 3.548 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494924948 1000732898 /nfs/dbraw/zinc/73/28/98/1000732898.db2.gz RQWMPPKMYDCUMF-JOCHJYFZSA-N 1 3 422.617 3.637 20 0 HHADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000495184489 1000906132 /nfs/dbraw/zinc/90/61/32/1000906132.db2.gz OJMRODDEHUUOKK-FQEVSTJZSA-N 1 3 409.496 3.755 20 0 HHADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000495184489 1000906141 /nfs/dbraw/zinc/90/61/41/1000906141.db2.gz OJMRODDEHUUOKK-FQEVSTJZSA-N 1 3 409.496 3.755 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498129000 1001653997 /nfs/dbraw/zinc/65/39/97/1001653997.db2.gz XWSNDZCNSOGXDG-SLFFLAALSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2cccs2)CC1 ZINC000498129000 1001654001 /nfs/dbraw/zinc/65/40/01/1001654001.db2.gz XWSNDZCNSOGXDG-SLFFLAALSA-N 1 3 404.624 3.647 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000498382470 1001812355 /nfs/dbraw/zinc/81/23/55/1001812355.db2.gz CRESJFJGDXVRAA-WVUPVLJSSA-N 1 3 400.611 3.802 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000498382470 1001812367 /nfs/dbraw/zinc/81/23/67/1001812367.db2.gz CRESJFJGDXVRAA-WVUPVLJSSA-N 1 3 400.611 3.802 20 0 HHADHO C[NH+]1CCC(C)(CN[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000507427871 1002066881 /nfs/dbraw/zinc/06/68/81/1002066881.db2.gz ZJPYGDKYNNAYTJ-OAQYLSRUSA-N 1 3 404.551 3.640 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707380 1002090901 /nfs/dbraw/zinc/09/09/01/1002090901.db2.gz SXPBGXJDCSFFKA-QPPBQGQZSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707380 1002090916 /nfs/dbraw/zinc/09/09/16/1002090916.db2.gz SXPBGXJDCSFFKA-QPPBQGQZSA-N 1 3 408.590 3.670 20 0 HHADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499236400 1002626596 /nfs/dbraw/zinc/62/65/96/1002626596.db2.gz XRDAJOYBKRMABH-JUCVYKANSA-N 1 3 419.613 3.655 20 0 HHADHO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508716818 1003156749 /nfs/dbraw/zinc/15/67/49/1003156749.db2.gz LFJRDIGJZYALLF-GRYUFTJMSA-N 1 3 411.565 3.699 20 0 HHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875266 1003294667 /nfs/dbraw/zinc/29/46/67/1003294667.db2.gz BVOGYZCJBOSYKV-WTOYTKOKSA-N 1 3 400.542 3.727 20 0 HHADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941893 1003394814 /nfs/dbraw/zinc/39/48/14/1003394814.db2.gz MRMXCLTWGKVCQD-DBXWQHBBSA-N 1 3 411.512 3.820 20 0 HHADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941893 1003394826 /nfs/dbraw/zinc/39/48/26/1003394826.db2.gz MRMXCLTWGKVCQD-DBXWQHBBSA-N 1 3 411.512 3.820 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000500131704 1003491704 /nfs/dbraw/zinc/49/17/04/1003491704.db2.gz KGHGJMCDIRZPII-OAQYLSRUSA-N 1 3 412.603 3.980 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000500835342 1003990912 /nfs/dbraw/zinc/99/09/12/1003990912.db2.gz UNEJNKQOYUKAPU-HSZRJFAPSA-N 1 3 421.589 3.604 20 0 HHADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171294 1004075125 /nfs/dbraw/zinc/07/51/25/1004075125.db2.gz GPSUOHDFRWCXSN-XZOQPEGZSA-N 1 3 408.590 3.889 20 0 HHADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171294 1004075136 /nfs/dbraw/zinc/07/51/36/1004075136.db2.gz GPSUOHDFRWCXSN-XZOQPEGZSA-N 1 3 408.590 3.889 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)C[C@@H](C)O1 ZINC000512179613 1004081799 /nfs/dbraw/zinc/08/17/99/1004081799.db2.gz LWNIIRKMQJNJEU-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)C[C@@H](C)O1 ZINC000512179613 1004081804 /nfs/dbraw/zinc/08/18/04/1004081804.db2.gz LWNIIRKMQJNJEU-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501034950 1004137918 /nfs/dbraw/zinc/13/79/18/1004137918.db2.gz WDGXZYHDTLVSTB-UHFFFAOYSA-N 1 3 422.451 3.767 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000512318210 1004213548 /nfs/dbraw/zinc/21/35/48/1004213548.db2.gz LWGIFKQRFKQVNC-BZSNNMDCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318210 1004213558 /nfs/dbraw/zinc/21/35/58/1004213558.db2.gz LWGIFKQRFKQVNC-BZSNNMDCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318210 1004213569 /nfs/dbraw/zinc/21/35/69/1004213569.db2.gz LWGIFKQRFKQVNC-BZSNNMDCSA-N 1 3 403.567 3.664 20 0 HHADHO Cc1ccccc1COc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000501256500 1004317753 /nfs/dbraw/zinc/31/77/53/1004317753.db2.gz JLJWWFPOZCVXLX-UHFFFAOYSA-N 1 3 421.585 3.862 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143274 1004353685 /nfs/dbraw/zinc/35/36/85/1004353685.db2.gz LQWRWVADUFCGEG-PMACEKPBSA-N 1 3 411.384 3.671 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143274 1004353690 /nfs/dbraw/zinc/35/36/90/1004353690.db2.gz LQWRWVADUFCGEG-PMACEKPBSA-N 1 3 411.384 3.671 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501492948 1004464220 /nfs/dbraw/zinc/46/42/20/1004464220.db2.gz XTNZHITZKXITJE-LADGPHEKSA-N 1 3 406.574 3.723 20 0 HHADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000512660856 1004471342 /nfs/dbraw/zinc/47/13/42/1004471342.db2.gz OZZQFECGXHBAKY-VABKMULXSA-N 1 3 407.606 3.827 20 0 HHADHO FC(F)OC[C@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821664 1004580561 /nfs/dbraw/zinc/58/05/61/1004580561.db2.gz CWFMIPVCUKVORZ-HOTGVXAUSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821664 1004580573 /nfs/dbraw/zinc/58/05/73/1004580573.db2.gz CWFMIPVCUKVORZ-HOTGVXAUSA-N 1 3 404.448 3.809 20 0 HHADHO CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501533 1004622356 /nfs/dbraw/zinc/62/23/56/1004622356.db2.gz MGVGQQNGPGGRMV-IEIRFRATSA-N 1 3 412.622 3.776 20 0 HHADHO CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501533 1004622361 /nfs/dbraw/zinc/62/23/61/1004622361.db2.gz MGVGQQNGPGGRMV-IEIRFRATSA-N 1 3 412.622 3.776 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525344 1004654627 /nfs/dbraw/zinc/65/46/27/1004654627.db2.gz MWAPZZQVBROGHV-ZEYPLWLESA-N 1 3 400.611 3.804 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525344 1004654633 /nfs/dbraw/zinc/65/46/33/1004654633.db2.gz MWAPZZQVBROGHV-ZEYPLWLESA-N 1 3 400.611 3.804 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000512906722 1004676113 /nfs/dbraw/zinc/67/61/13/1004676113.db2.gz IFZCXNXUHFTVEJ-QHCPKHFHSA-N 1 3 416.610 3.594 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552041 1004689601 /nfs/dbraw/zinc/68/96/01/1004689601.db2.gz VEIGZQZWRGCADX-GBXCKJPGSA-N 1 3 408.590 3.558 20 0 HHADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000501779751 1004719459 /nfs/dbraw/zinc/71/94/59/1004719459.db2.gz YRMYGCTWJIGTLN-NRFANRHFSA-N 1 3 412.603 3.633 20 0 HHADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000501779751 1004719464 /nfs/dbraw/zinc/71/94/64/1004719464.db2.gz YRMYGCTWJIGTLN-NRFANRHFSA-N 1 3 412.603 3.633 20 0 HHADHO CCn1nccc1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000513031587 1004768187 /nfs/dbraw/zinc/76/81/87/1004768187.db2.gz MYQORCYVBTXUJJ-UHFFFAOYSA-N 1 3 409.500 3.614 20 0 HHADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000513109719 1004812059 /nfs/dbraw/zinc/81/20/59/1004812059.db2.gz DZJPPKXAGYRVJR-UHFFFAOYSA-N 1 3 409.574 3.536 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccc(Br)cc43)cc2)CC1 ZINC000510737759 1004824811 /nfs/dbraw/zinc/82/48/11/1004824811.db2.gz PCPJPMULCKWZMQ-QFIPXVFZSA-N 1 3 414.391 3.974 20 0 HHADHO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000510942855 1004946273 /nfs/dbraw/zinc/94/62/73/1004946273.db2.gz COFSSEYCCZCXJR-KEVKATSASA-N 1 3 417.597 3.720 20 0 HHADHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000513692305 1005084570 /nfs/dbraw/zinc/08/45/70/1005084570.db2.gz YYHAWTVUIDKVHO-BXXSPATCSA-N 1 3 407.606 3.997 20 0 HHADHO Cc1cc(CN(C)C)cc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC000502483646 1005088644 /nfs/dbraw/zinc/08/86/44/1005088644.db2.gz AJQKOOOHECTQPU-UHFFFAOYSA-N 1 3 405.546 3.734 20 0 HHADHO CN1CCO[C@H]([C@@H](NCc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366874 1005141305 /nfs/dbraw/zinc/14/13/05/1005141305.db2.gz LBZVAZDAOMCIJK-VXKWHMMOSA-N 1 3 405.945 3.702 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(Cc3ccco3)C3CCN(C)CC3)CC2)CC1 ZINC000502794115 1005220226 /nfs/dbraw/zinc/22/02/26/1005220226.db2.gz VAKJVDVBUQWZRU-UHFFFAOYSA-N 1 3 416.610 3.929 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000502843696 1005241047 /nfs/dbraw/zinc/24/10/47/1005241047.db2.gz JPRXXRPXNIPTDH-NFBKMPQASA-N 1 3 416.610 3.786 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000502843696 1005241051 /nfs/dbraw/zinc/24/10/51/1005241051.db2.gz JPRXXRPXNIPTDH-NFBKMPQASA-N 1 3 416.610 3.786 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000502863393 1005248617 /nfs/dbraw/zinc/24/86/17/1005248617.db2.gz QCAVKUNAHYDOPY-NZQKXSOJSA-N 1 3 416.610 3.786 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000502863393 1005248621 /nfs/dbraw/zinc/24/86/21/1005248621.db2.gz QCAVKUNAHYDOPY-NZQKXSOJSA-N 1 3 416.610 3.786 20 0 HHADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503110582 1005349743 /nfs/dbraw/zinc/34/97/43/1005349743.db2.gz MEDCIQOFCUOXGS-QHCPKHFHSA-N 1 3 406.574 3.567 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)c(C)c2)CC1 ZINC000514543764 1006030153 /nfs/dbraw/zinc/03/01/53/1006030153.db2.gz VMRQTYBWRLHHAT-UHFFFAOYSA-N 1 3 409.578 3.520 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181158 1006169223 /nfs/dbraw/zinc/16/92/23/1006169223.db2.gz GSKNFKRPUXYISW-DQEYMECFSA-N 1 3 423.601 3.531 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000534181158 1006169228 /nfs/dbraw/zinc/16/92/28/1006169228.db2.gz GSKNFKRPUXYISW-DQEYMECFSA-N 1 3 423.601 3.531 20 0 HHADHO COc1ccc([C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)N2CCCC2)cc1 ZINC000531445328 1006201183 /nfs/dbraw/zinc/20/11/83/1006201183.db2.gz LVUWFWSGDOGDHW-XMMPIXPASA-N 1 3 422.573 3.568 20 0 HHADHO c1cnn(-c2cccc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000531603228 1006300568 /nfs/dbraw/zinc/30/05/68/1006300568.db2.gz TXDVMOPHKPNHFR-UHFFFAOYSA-N 1 3 403.574 3.560 20 0 HHADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000534682824 1006662553 /nfs/dbraw/zinc/66/25/53/1006662553.db2.gz MVRJEQZEMJRUEK-RPWUZVMVSA-N 1 3 406.574 3.917 20 0 HHADHO CN1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000534720395 1006707102 /nfs/dbraw/zinc/70/71/02/1006707102.db2.gz ADVJBVANPOEKQQ-RPWUZVMVSA-N 1 3 406.574 3.738 20 0 HHADHO CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874117 1006729838 /nfs/dbraw/zinc/72/98/38/1006729838.db2.gz FDENRCGDCCAHII-CYFREDJKSA-N 1 3 410.558 3.651 20 0 HHADHO CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000515874117 1006729847 /nfs/dbraw/zinc/72/98/47/1006729847.db2.gz FDENRCGDCCAHII-CYFREDJKSA-N 1 3 410.558 3.651 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(N[C@H](C)[C@@H](c3ccccc3)N3CCOCC3)cc2)CC1 ZINC000538535617 1006798179 /nfs/dbraw/zinc/79/81/79/1006798179.db2.gz SFCIPRUXPJXUGI-GJZUVCINSA-N 1 3 422.617 3.698 20 0 HHADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000538724939 1007003644 /nfs/dbraw/zinc/00/36/44/1007003644.db2.gz KGFIMBUEYZSVHF-IBGZPJMESA-N 1 3 418.626 3.928 20 0 HHADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000538724939 1007003658 /nfs/dbraw/zinc/00/36/58/1007003658.db2.gz KGFIMBUEYZSVHF-IBGZPJMESA-N 1 3 418.626 3.928 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)(F)F)c1 ZINC000539070014 1007362627 /nfs/dbraw/zinc/36/26/27/1007362627.db2.gz DWRPNBXXAIKXEZ-HNNXBMFYSA-N 1 3 409.452 3.727 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000539074314 1007365441 /nfs/dbraw/zinc/36/54/41/1007365441.db2.gz ZXHHSPCEZSXTBM-DEOSSOPVSA-N 1 3 421.585 3.860 20 0 HHADHO C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084693 1007373586 /nfs/dbraw/zinc/37/35/86/1007373586.db2.gz QCKFRXJBLVKWEA-IIBYNOLFSA-N 1 3 401.938 3.737 20 0 HHADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000517226229 1007510670 /nfs/dbraw/zinc/51/06/70/1007510670.db2.gz HCDMAMQYBHOLKK-CYXNTTPDSA-N 1 3 406.618 3.790 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000533226742 1007549692 /nfs/dbraw/zinc/54/96/92/1007549692.db2.gz VXDNKUKVIBILJJ-OAQYLSRUSA-N 1 3 403.636 3.753 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000535506594 1007562328 /nfs/dbraw/zinc/56/23/28/1007562328.db2.gz GDAJRLCAPLHJHT-SFHVURJKSA-N 1 3 400.792 3.707 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000535506591 1007562911 /nfs/dbraw/zinc/56/29/11/1007562911.db2.gz GDAJRLCAPLHJHT-GOSISDBHSA-N 1 3 400.792 3.707 20 0 HHADHO CCCC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000517606598 1007809225 /nfs/dbraw/zinc/80/92/25/1007809225.db2.gz DRQRFCUDLPVHEN-OAQYLSRUSA-N 1 3 411.512 3.822 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653465 1007866268 /nfs/dbraw/zinc/86/62/68/1007866268.db2.gz UYLAGFOJBAEKGY-VWNXMTODSA-N 1 3 420.601 3.541 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653465 1007866277 /nfs/dbraw/zinc/86/62/77/1007866277.db2.gz UYLAGFOJBAEKGY-VWNXMTODSA-N 1 3 420.601 3.541 20 0 HHADHO Cc1nc(-c2cc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cs2)cs1 ZINC000539646790 1007963676 /nfs/dbraw/zinc/96/36/76/1007963676.db2.gz HJWUDUNQJSFUJQ-PBHICJAKSA-N 1 3 408.637 3.923 20 0 HHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884055 1008028726 /nfs/dbraw/zinc/02/87/26/1008028726.db2.gz XPEWMOYKTXBXTH-PMACEKPBSA-N 1 3 406.640 3.941 20 0 HHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884055 1008028733 /nfs/dbraw/zinc/02/87/33/1008028733.db2.gz XPEWMOYKTXBXTH-PMACEKPBSA-N 1 3 406.640 3.941 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000518131057 1008174239 /nfs/dbraw/zinc/17/42/39/1008174239.db2.gz FKILAIBBSXUDCL-UHFFFAOYSA-N 1 3 412.622 3.818 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000539955898 1008204645 /nfs/dbraw/zinc/20/46/45/1008204645.db2.gz OWSAVVXNNPAXKO-XMMPIXPASA-N 1 3 423.605 3.941 20 0 HHADHO COc1ccc(C)cc1NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045058 1008254713 /nfs/dbraw/zinc/25/47/13/1008254713.db2.gz AVMQTXYASWZQKF-LJQANCHMSA-N 1 3 410.562 3.964 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000518403935 1008290995 /nfs/dbraw/zinc/29/09/95/1008290995.db2.gz ZOLRYPWHXBENQY-FGCOXFRFSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000518403935 1008291004 /nfs/dbraw/zinc/29/10/04/1008291004.db2.gz ZOLRYPWHXBENQY-FGCOXFRFSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160785 1008316319 /nfs/dbraw/zinc/31/63/19/1008316319.db2.gz KYGCSIKEGVXMBJ-VFNWGFHPSA-N 1 3 419.928 3.876 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000540187192 1008327743 /nfs/dbraw/zinc/32/77/43/1008327743.db2.gz VENOIAZNMUURIQ-SIKLNZKXSA-N 1 3 402.579 3.804 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000518623353 1008369256 /nfs/dbraw/zinc/36/92/56/1008369256.db2.gz FPFQQNJDEXNDIA-CTNGQTDRSA-N 1 3 415.603 3.548 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]C1CCN(C(=O)c3ccccc3)CC1)c1ccccc1O2 ZINC000540496219 1008455312 /nfs/dbraw/zinc/45/53/12/1008455312.db2.gz YLGWODCEHNOHRW-QHCPKHFHSA-N 1 3 419.569 3.869 20 0 HHADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142745 1008711185 /nfs/dbraw/zinc/71/11/85/1008711185.db2.gz NZXSLGLNOQQYPL-JWQCQUIFSA-N 1 3 421.585 3.705 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)cc3-c3ccnn3C)cc2)CC1 ZINC000549238509 1008809865 /nfs/dbraw/zinc/80/98/65/1008809865.db2.gz OSSRVFWCRJQEOR-UHFFFAOYSA-N 1 3 417.601 3.823 20 0 HHADHO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c(C)c1 ZINC000543523435 1009115048 /nfs/dbraw/zinc/11/50/48/1009115048.db2.gz UKHXFKFWSDDKKP-UHFFFAOYSA-N 1 3 414.638 3.680 20 0 HHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000543713888 1009316785 /nfs/dbraw/zinc/31/67/85/1009316785.db2.gz OGAZZXKMXBNMCV-QHCPKHFHSA-N 1 3 422.573 3.568 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040036 1009641878 /nfs/dbraw/zinc/64/18/78/1009641878.db2.gz TXYXZIUXUQOLQY-OALUTQOASA-N 1 3 414.594 3.710 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040036 1009641883 /nfs/dbraw/zinc/64/18/83/1009641883.db2.gz TXYXZIUXUQOLQY-OALUTQOASA-N 1 3 414.594 3.710 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105657 1009705401 /nfs/dbraw/zinc/70/54/01/1009705401.db2.gz QNKREZHGSOICSJ-VRAWNYFSSA-N 1 3 421.560 3.942 20 0 HHADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000550105657 1009705404 /nfs/dbraw/zinc/70/54/04/1009705404.db2.gz QNKREZHGSOICSJ-VRAWNYFSSA-N 1 3 421.560 3.942 20 0 HHADHO Cc1cccc([C@H]2CCN([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189721 1009792968 /nfs/dbraw/zinc/79/29/68/1009792968.db2.gz JKRJULNKWFJHAK-URXFXBBRSA-N 1 3 405.586 3.954 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)c(C)c2)CC1 ZINC000520782619 1009850927 /nfs/dbraw/zinc/85/09/27/1009850927.db2.gz YFKAOOPCUFCITG-PMACEKPBSA-N 1 3 401.599 3.521 20 0 HHADHO CN(C)CC[NH+]1CCC(N[C@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000550611892 1010064448 /nfs/dbraw/zinc/06/44/48/1010064448.db2.gz DPYZIFUNCCYWQQ-FQEVSTJZSA-N 1 3 424.358 3.886 20 0 HHADHO c1ccc([C@@H](NCCCC[NH+]2CCN(c3ccccc3)CC2)c2cncnc2)cc1 ZINC000544566029 1010195406 /nfs/dbraw/zinc/19/54/06/1010195406.db2.gz SDXPXRWNQXYPQS-RUZDIDTESA-N 1 3 401.558 3.758 20 0 HHADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H](n2cncn2)C1 ZINC000550882964 1010240077 /nfs/dbraw/zinc/24/00/77/1010240077.db2.gz UHAZVIASYNNCIX-AYVPJYCDSA-N 1 3 423.605 3.526 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547502905 1010330176 /nfs/dbraw/zinc/33/01/76/1010330176.db2.gz KUWQYYYJBIIIFB-BCWJEPCDSA-N 1 3 403.570 3.644 20 0 HHADHO C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155510 1010547360 /nfs/dbraw/zinc/54/73/60/1010547360.db2.gz XHBFWGWEKMYYMM-MIZPHKNDSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155510 1010547368 /nfs/dbraw/zinc/54/73/68/1010547368.db2.gz XHBFWGWEKMYYMM-MIZPHKNDSA-N 1 3 421.585 3.905 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000521697079 1010557974 /nfs/dbraw/zinc/55/79/74/1010557974.db2.gz NLRQQDNAICYGEX-JOCHJYFZSA-N 1 3 413.610 3.619 20 0 HHADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000521700173 1010560583 /nfs/dbraw/zinc/56/05/83/1010560583.db2.gz VFTNPZNJJUZMCC-RTBURBONSA-N 1 3 404.624 3.662 20 0 HHADHO COc1ccc(C[NH+]2CCC(CN[C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000521726539 1010576967 /nfs/dbraw/zinc/57/69/67/1010576967.db2.gz SOGSEPFYBBFQKO-DEOSSOPVSA-N 1 3 407.558 3.517 20 0 HHADHO CN(CCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1cc[nH+]cc1 ZINC000548606319 1010679077 /nfs/dbraw/zinc/67/90/77/1010679077.db2.gz XYWDTTNMNYOXPW-QFIPXVFZSA-N 1 3 416.516 3.918 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548773954 1010727626 /nfs/dbraw/zinc/72/76/26/1010727626.db2.gz CHJOINPLCKEZMH-FKIWKMFDSA-N 1 3 408.586 3.942 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCSc4ccc(Cl)cc43)CC2)CC1 ZINC000522114706 1010819587 /nfs/dbraw/zinc/81/95/87/1010819587.db2.gz QKXQUORXJGBRRQ-LJQANCHMSA-N 1 3 423.026 3.735 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000522308076 1010920957 /nfs/dbraw/zinc/92/09/57/1010920957.db2.gz XGFPYHPEINCUDD-NRFANRHFSA-N 1 3 414.619 3.967 20 0 HHADHO CCCN(C(=O)NC[C@H]1CC[N@H+](CCC)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522433682 1011009185 /nfs/dbraw/zinc/00/91/85/1011009185.db2.gz CRHMHDWCOHYXGD-DHIUTWEWSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(C(=O)NC[C@H]1CC[N@@H+](CCC)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000522433682 1011009188 /nfs/dbraw/zinc/00/91/88/1011009188.db2.gz CRHMHDWCOHYXGD-DHIUTWEWSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155707 1011280624 /nfs/dbraw/zinc/28/06/24/1011280624.db2.gz OLEODYAIDUJFMG-CDIGIKMISA-N 1 3 406.574 3.784 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155707 1011280640 /nfs/dbraw/zinc/28/06/40/1011280640.db2.gz OLEODYAIDUJFMG-CDIGIKMISA-N 1 3 406.574 3.784 20 0 HHADHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231963 1011380987 /nfs/dbraw/zinc/38/09/87/1011380987.db2.gz IWUBAAPWKCYTJR-ZEQRLZLVSA-N 1 3 406.574 3.738 20 0 HHADHO C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540766485 1011421468 /nfs/dbraw/zinc/42/14/68/1011421468.db2.gz VMISEAGWHPJSMI-LJQANCHMSA-N 1 3 415.603 3.647 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000536427292 1011646786 /nfs/dbraw/zinc/64/67/86/1011646786.db2.gz GRQRCVABOUGLQN-DEOSSOPVSA-N 1 3 406.574 3.811 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000523300897 1011780249 /nfs/dbraw/zinc/78/02/49/1011780249.db2.gz WQTROVHLLRLLEK-IBGZPJMESA-N 1 3 406.640 3.724 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000523300897 1011780264 /nfs/dbraw/zinc/78/02/64/1011780264.db2.gz WQTROVHLLRLLEK-IBGZPJMESA-N 1 3 406.640 3.724 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839718 1012070187 /nfs/dbraw/zinc/07/01/87/1012070187.db2.gz OGNDYRZBONWNCD-YROCYRMSSA-N 1 3 415.965 3.903 20 0 HHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857850 1012091277 /nfs/dbraw/zinc/09/12/77/1012091277.db2.gz NKMDMTKRDWAVDE-GOSISDBHSA-N 1 3 403.592 3.628 20 0 HHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857850 1012091295 /nfs/dbraw/zinc/09/12/95/1012091295.db2.gz NKMDMTKRDWAVDE-GOSISDBHSA-N 1 3 403.592 3.628 20 0 HHADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)s1 ZINC000552090931 1012107710 /nfs/dbraw/zinc/10/77/10/1012107710.db2.gz XMFHTJDRJRDGMJ-XLMAVXFVSA-N 1 3 407.628 3.696 20 0 HHADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@H]21 ZINC000552255859 1012266863 /nfs/dbraw/zinc/26/68/63/1012266863.db2.gz XNJDYMKQOJNCCU-TZRRMPRUSA-N 1 3 423.580 3.510 20 0 HHADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@H]21 ZINC000552255859 1012266881 /nfs/dbraw/zinc/26/68/81/1012266881.db2.gz XNJDYMKQOJNCCU-TZRRMPRUSA-N 1 3 423.580 3.510 20 0 HHADHO C[C@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278082 1012291428 /nfs/dbraw/zinc/29/14/28/1012291428.db2.gz TURMUWLKRLXYCI-CVDCTZTESA-N 1 3 409.574 3.863 20 0 HHADHO C[C@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278082 1012291445 /nfs/dbraw/zinc/29/14/45/1012291445.db2.gz TURMUWLKRLXYCI-CVDCTZTESA-N 1 3 409.574 3.863 20 0 HHADHO CC1CCC([NH+]2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)CC1 ZINC000523784775 1012435842 /nfs/dbraw/zinc/43/58/42/1012435842.db2.gz GVPHVRJDWPBGOH-SOAGJPPSSA-N 1 3 404.624 3.791 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523832689 1012520188 /nfs/dbraw/zinc/52/01/88/1012520188.db2.gz IAJZQBDTLXXEIE-NFBKMPQASA-N 1 3 406.574 3.635 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@@H](NCc1ccc(CN3CCOCC3)cc1)c1ccccc1O2 ZINC000537166897 1012569039 /nfs/dbraw/zinc/56/90/39/1012569039.db2.gz ICOKJPANCRDXBA-XMMPIXPASA-N 1 3 421.585 3.597 20 0 HHADHO CCN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)c(C)c1C ZINC000552607525 1012609458 /nfs/dbraw/zinc/60/94/58/1012609458.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 1 3 414.594 3.929 20 0 HHADHO CCN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2CC)c(C)c1C ZINC000552607525 1012609464 /nfs/dbraw/zinc/60/94/64/1012609464.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 1 3 414.594 3.929 20 0 HHADHO CCN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2CC)c(C)c1C ZINC000552607525 1012609467 /nfs/dbraw/zinc/60/94/67/1012609467.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 1 3 414.594 3.929 20 0 HHADHO CCN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2CC)c(C)c1C ZINC000552607525 1012609470 /nfs/dbraw/zinc/60/94/70/1012609470.db2.gz BCDWDIRLXQCCNV-SZPZYZBQSA-N 1 3 414.594 3.929 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c2cccs2)CC1 ZINC000541882373 1012752090 /nfs/dbraw/zinc/75/20/90/1012752090.db2.gz HTNBJIMANIEAPL-MOUTVQLLSA-N 1 3 424.658 3.537 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c2cccs2)CC1 ZINC000541882373 1012752100 /nfs/dbraw/zinc/75/21/00/1012752100.db2.gz HTNBJIMANIEAPL-MOUTVQLLSA-N 1 3 424.658 3.537 20 0 HHADHO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CNC3CC[NH+](CC4CC4)CC3)OC2)CC1 ZINC001168351177 1072533603 /nfs/dbraw/zinc/53/36/03/1072533603.db2.gz KIVYRTRTSUHPFQ-NRFANRHFSA-N 1 3 421.626 3.647 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656449 1073104939 /nfs/dbraw/zinc/10/49/39/1073104939.db2.gz NZEMIPKYWGNINM-OYRHEFFESA-N 1 3 415.622 3.878 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656449 1073104951 /nfs/dbraw/zinc/10/49/51/1073104951.db2.gz NZEMIPKYWGNINM-OYRHEFFESA-N 1 3 415.622 3.878 20 0 HHADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786370 1074003478 /nfs/dbraw/zinc/00/34/78/1074003478.db2.gz UJWJZRXHKKYLQW-GOSISDBHSA-N 1 3 410.002 3.618 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000590786370 1074003487 /nfs/dbraw/zinc/00/34/87/1074003487.db2.gz UJWJZRXHKKYLQW-GOSISDBHSA-N 1 3 410.002 3.618 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542078 1074377192 /nfs/dbraw/zinc/37/71/92/1074377192.db2.gz VMYIKPOHVYOFSA-PMACEKPBSA-N 1 3 404.624 3.791 20 0 HHADHO COc1ccc(OCc2ccccn2)c(CNCC2(SC)CC[NH+](C)CC2)c1 ZINC000574086972 1075162088 /nfs/dbraw/zinc/16/20/88/1075162088.db2.gz UJUHQNSJKFEJJF-UHFFFAOYSA-N 1 3 401.576 3.586 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000593500113 1075204776 /nfs/dbraw/zinc/20/47/76/1075204776.db2.gz MVZWIMRFCNLXQI-JOCHJYFZSA-N 1 3 410.562 3.803 20 0 HHADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164837700 720725658 /nfs/dbraw/zinc/72/56/58/720725658.db2.gz GVXBTJLHYDGHST-XMMPIXPASA-N 1 3 420.601 3.937 20 0 HHADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164837700 720725664 /nfs/dbraw/zinc/72/56/64/720725664.db2.gz GVXBTJLHYDGHST-XMMPIXPASA-N 1 3 420.601 3.937 20 0 HHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768938 721235418 /nfs/dbraw/zinc/23/54/18/721235418.db2.gz YUWXLPHKBZPGLN-TZRRMPRUSA-N 1 3 422.621 3.710 20 0 HHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768938 721235424 /nfs/dbraw/zinc/23/54/24/721235424.db2.gz YUWXLPHKBZPGLN-TZRRMPRUSA-N 1 3 422.621 3.710 20 0 HHADHO Cc1ccc(N(c2ccc(CN(C)C3CC3)cn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164972258 722078700 /nfs/dbraw/zinc/07/87/00/722078700.db2.gz ZAARCCJIDYGDKC-UHFFFAOYSA-N 1 3 414.557 3.932 20 0 HHADHO FC(F)(F)c1ccc2c(c1)nccc2NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000301767196 971059846 /nfs/dbraw/zinc/05/98/46/971059846.db2.gz BRKGHIRLOLNLOT-UHFFFAOYSA-N 1 3 416.451 3.668 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000542140929 1013074306 /nfs/dbraw/zinc/07/43/06/1013074306.db2.gz SHPCKFFTAYVBJV-OAHLLOKOSA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000542141517 1013075434 /nfs/dbraw/zinc/07/54/34/1013075434.db2.gz XMNKEOFPCUSUIC-AWEZNQCLSA-N 1 3 409.596 3.721 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000542141620 1013075902 /nfs/dbraw/zinc/07/59/02/1013075902.db2.gz FJHGIFIOXGIFKX-CQSZACIVSA-N 1 3 421.607 3.723 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000542152172 1013088223 /nfs/dbraw/zinc/08/82/23/1013088223.db2.gz JOISHIRTNYQRQZ-OAHLLOKOSA-N 1 3 400.567 3.651 20 0 HHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 ZINC000524288467 1013095743 /nfs/dbraw/zinc/09/57/43/1013095743.db2.gz CPKQVHNSQPARRC-QHCPKHFHSA-N 1 3 400.611 3.975 20 0 HHADHO Cc1cccc(N2CC[NH+](CCCCNCc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000524307297 1013121737 /nfs/dbraw/zinc/12/17/37/1013121737.db2.gz RDCGALUDXRAXIP-UHFFFAOYSA-N 1 3 411.981 3.988 20 0 HHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000524307297 1013121752 /nfs/dbraw/zinc/12/17/52/1013121752.db2.gz RDCGALUDXRAXIP-UHFFFAOYSA-N 1 3 411.981 3.988 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000303785782 972026310 /nfs/dbraw/zinc/02/63/10/972026310.db2.gz DMAYZHJXCJSKLP-URXFXBBRSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000303785782 972026319 /nfs/dbraw/zinc/02/63/19/972026319.db2.gz DMAYZHJXCJSKLP-URXFXBBRSA-N 1 3 408.590 3.904 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631303 1013185631 /nfs/dbraw/zinc/18/56/31/1013185631.db2.gz JYLXTZYWRXSBCD-OAQYLSRUSA-N 1 3 414.638 3.593 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631303 1013185634 /nfs/dbraw/zinc/18/56/34/1013185634.db2.gz JYLXTZYWRXSBCD-OAQYLSRUSA-N 1 3 414.638 3.593 20 0 HHADHO O=C(CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000553253588 1013220479 /nfs/dbraw/zinc/22/04/79/1013220479.db2.gz RYNJXUIYAOQASB-HSZRJFAPSA-N 1 3 411.977 3.956 20 0 HHADHO COc1cc(NCC[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc(OC)c1 ZINC000553469694 1013377923 /nfs/dbraw/zinc/37/79/23/1013377923.db2.gz ZIZSDVFWMMGCDZ-QFIPXVFZSA-N 1 3 411.546 3.694 20 0 HHADHO COc1cc(NCCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc(OC)c1 ZINC000553469694 1013377931 /nfs/dbraw/zinc/37/79/31/1013377931.db2.gz ZIZSDVFWMMGCDZ-QFIPXVFZSA-N 1 3 411.546 3.694 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(Nc4cccc(C)c4)CC3)CC2)CC1 ZINC000553481445 1013388266 /nfs/dbraw/zinc/38/82/66/1013388266.db2.gz ITEQQHXFWRGMRY-UHFFFAOYSA-N 1 3 412.622 3.594 20 0 HHADHO CC[N@H+](CCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC1CC1 ZINC000537849832 1013417849 /nfs/dbraw/zinc/41/78/49/1013417849.db2.gz UUQUIEGMHHTSBZ-UHFFFAOYSA-N 1 3 402.970 3.682 20 0 HHADHO CC[N@@H+](CCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC1CC1 ZINC000537849832 1013417857 /nfs/dbraw/zinc/41/78/57/1013417857.db2.gz UUQUIEGMHHTSBZ-UHFFFAOYSA-N 1 3 402.970 3.682 20 0 HHADHO C[NH+]1CCN(Cc2ccc(CN[C@@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000542476991 1013424840 /nfs/dbraw/zinc/42/48/40/1013424840.db2.gz ARVCUDPQFGGWMN-VWLOTQADSA-N 1 3 404.533 3.847 20 0 HHADHO CCCCCCOc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797126 964399572 /nfs/dbraw/zinc/39/95/72/964399572.db2.gz QQRTWDAHJHHZPF-UHFFFAOYSA-N 1 3 415.622 3.863 20 0 HHADHO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759829 964690023 /nfs/dbraw/zinc/69/00/23/964690023.db2.gz LNNZENRMYIXYTC-UHFFFAOYSA-N 1 3 400.611 3.684 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955492 1013535195 /nfs/dbraw/zinc/53/51/95/1013535195.db2.gz YMJQVDGWSJUWLS-CEXWTWQISA-N 1 3 409.368 3.630 20 0 HHADHO Cn1cc(CNCc2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000028314676 965073262 /nfs/dbraw/zinc/07/32/62/965073262.db2.gz AQYKDTVWUUTMNP-UHFFFAOYSA-N 1 3 406.530 3.600 20 0 HHADHO Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980946 1013557040 /nfs/dbraw/zinc/55/70/40/1013557040.db2.gz QJNIVBMNYAYFHT-MBSDFSHPSA-N 1 3 415.603 3.563 20 0 HHADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057819220 965555366 /nfs/dbraw/zinc/55/53/66/965555366.db2.gz VOWCSXZFBSMYMW-HSZRJFAPSA-N 1 3 406.574 3.843 20 0 HHADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000542712716 1013625230 /nfs/dbraw/zinc/62/52/30/1013625230.db2.gz MITNESBXMNLKML-NZQKXSOJSA-N 1 3 400.611 3.831 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000061222591 966400115 /nfs/dbraw/zinc/40/01/15/966400115.db2.gz JHYKADOLOMJKIW-DEOSSOPVSA-N 1 3 408.590 3.947 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000061530235 966491644 /nfs/dbraw/zinc/49/16/44/966491644.db2.gz WFCCMIVOODXIAL-UHFFFAOYSA-N 1 3 418.651 3.689 20 0 HHADHO CC(C)(CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000061553378 966499115 /nfs/dbraw/zinc/49/91/15/966499115.db2.gz UPORCTCAOQPIDS-UHFFFAOYSA-N 1 3 420.601 3.919 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000061795011 966558506 /nfs/dbraw/zinc/55/85/06/966558506.db2.gz XQOHQTRBWVPVQX-DEOSSOPVSA-N 1 3 424.589 3.783 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000061795011 966558516 /nfs/dbraw/zinc/55/85/16/966558516.db2.gz XQOHQTRBWVPVQX-DEOSSOPVSA-N 1 3 424.589 3.783 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528448 966698288 /nfs/dbraw/zinc/69/82/88/966698288.db2.gz PJJKSGWKJAWBSI-UHFFFAOYSA-N 1 3 418.601 3.944 20 0 HHADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000064336903 967145836 /nfs/dbraw/zinc/14/58/36/967145836.db2.gz HJVNHBCGQJBQFQ-LVCYWYKZSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000064336903 967145843 /nfs/dbraw/zinc/14/58/43/967145843.db2.gz HJVNHBCGQJBQFQ-LVCYWYKZSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944218 1013714994 /nfs/dbraw/zinc/71/49/94/1013714994.db2.gz BSAFTAIEFDSPOU-NFBKMPQASA-N 1 3 412.578 3.654 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944218 1013714999 /nfs/dbraw/zinc/71/49/99/1013714999.db2.gz BSAFTAIEFDSPOU-NFBKMPQASA-N 1 3 412.578 3.654 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000045192286 967376377 /nfs/dbraw/zinc/37/63/77/967376377.db2.gz RIBOESCWPYKGTD-UHFFFAOYSA-N 1 3 406.574 3.700 20 0 HHADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cc2)CC1 ZINC000109897742 969589097 /nfs/dbraw/zinc/58/90/97/969589097.db2.gz ASRKABAWYUXGIU-DEOSSOPVSA-N 1 3 420.601 3.611 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)N(C)C)cc1 ZINC000109899844 969589884 /nfs/dbraw/zinc/58/98/84/969589884.db2.gz NBFANCDVYVBTEM-XMMPIXPASA-N 1 3 408.590 3.558 20 0 HHADHO CC1CC[NH+](CCCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110174588 969632739 /nfs/dbraw/zinc/63/27/39/969632739.db2.gz BJPTYQQRZHHCBN-NRFANRHFSA-N 1 3 411.512 3.679 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1)C(C)C ZINC000110227661 969640290 /nfs/dbraw/zinc/64/02/90/969640290.db2.gz MLEUKUPTSPZIRO-UHFFFAOYSA-N 1 3 422.617 3.594 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1)C(C)C ZINC000110227661 969640291 /nfs/dbraw/zinc/64/02/91/969640291.db2.gz MLEUKUPTSPZIRO-UHFFFAOYSA-N 1 3 422.617 3.594 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)C[C@H](C)O1 ZINC000110434126 969667480 /nfs/dbraw/zinc/66/74/80/969667480.db2.gz XJVJQAHNNWYYKM-IYBDPMFKSA-N 1 3 411.949 3.629 20 0 HHADHO CSc1ccccc1NC(=O)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000110990678 969755441 /nfs/dbraw/zinc/75/54/41/969755441.db2.gz ZCVSGCSRUJZSLD-ROUUACIJSA-N 1 3 405.608 3.558 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000195746325 969997907 /nfs/dbraw/zinc/99/79/07/969997907.db2.gz ZNLJOEOLPYGGNE-DEOSSOPVSA-N 1 3 424.589 3.783 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000195746325 969997915 /nfs/dbraw/zinc/99/79/15/969997915.db2.gz ZNLJOEOLPYGGNE-DEOSSOPVSA-N 1 3 424.589 3.783 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(OC4CCCC4)cc3)CC2)CC1 ZINC000215981358 970058754 /nfs/dbraw/zinc/05/87/54/970058754.db2.gz QHKATQNIDSVTAP-UHFFFAOYSA-N 1 3 400.567 3.688 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000140773919 970086805 /nfs/dbraw/zinc/08/68/05/970086805.db2.gz CBZBDKIROFUVEM-LJQANCHMSA-N 1 3 413.562 3.612 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000236698807 970157802 /nfs/dbraw/zinc/15/78/02/970157802.db2.gz CEHZUKHNZOEIEL-UHFFFAOYSA-N 1 3 422.392 3.626 20 0 HHADHO CCCCOc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1OCC ZINC000236730586 970164144 /nfs/dbraw/zinc/16/41/44/970164144.db2.gz SQEFEPUHMXBIHK-UHFFFAOYSA-N 1 3 403.611 3.912 20 0 HHADHO CCN(CC)c1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236968279 970197120 /nfs/dbraw/zinc/19/71/20/970197120.db2.gz GOWOTSZXGUXPEP-HSZRJFAPSA-N 1 3 408.590 3.520 20 0 HHADHO CCN(CC)c1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236968279 970197123 /nfs/dbraw/zinc/19/71/23/970197123.db2.gz GOWOTSZXGUXPEP-HSZRJFAPSA-N 1 3 408.590 3.520 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000237608266 970320740 /nfs/dbraw/zinc/32/07/40/970320740.db2.gz NYZFPTUFOOFGNT-UEXGIBASSA-N 1 3 410.986 3.877 20 0 HHADHO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381303939 972780817 /nfs/dbraw/zinc/78/08/17/972780817.db2.gz BHEAXQRKRQPIAP-LDQXTDLNSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@@H](O)c1cccc(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303939 972780828 /nfs/dbraw/zinc/78/08/28/972780828.db2.gz BHEAXQRKRQPIAP-LDQXTDLNSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@@H](O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303939 972780836 /nfs/dbraw/zinc/78/08/36/972780836.db2.gz BHEAXQRKRQPIAP-LDQXTDLNSA-N 1 3 403.364 3.983 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000410321494 973869178 /nfs/dbraw/zinc/86/91/78/973869178.db2.gz BPXVUQLGBZGAHO-UHFFFAOYSA-N 1 3 420.601 3.707 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000410330615 973904054 /nfs/dbraw/zinc/90/40/54/973904054.db2.gz YKNPQODFUMEYPB-UHFFFAOYSA-N 1 3 420.601 3.877 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000426814344 974680150 /nfs/dbraw/zinc/68/01/50/974680150.db2.gz FKQCHYMVNPCEJH-HDICACEKSA-N 1 3 407.986 3.880 20 0 HHADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)CC2)C[C@@H](C)O1 ZINC000427342595 975065335 /nfs/dbraw/zinc/06/53/35/975065335.db2.gz QAIBSQUCSOGBIH-WOJBJXKFSA-N 1 3 422.573 3.599 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427940580 975359622 /nfs/dbraw/zinc/35/96/22/975359622.db2.gz DNJGSNLNLKIZAT-JOCHJYFZSA-N 1 3 409.578 3.697 20 0 HHADHO C[C@H](CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000429085162 976370689 /nfs/dbraw/zinc/37/06/89/976370689.db2.gz YPKXCZDNYXVALO-NHCUHLMSSA-N 1 3 423.605 3.817 20 0 HHADHO C[C@H](CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000429085162 976370697 /nfs/dbraw/zinc/37/06/97/976370697.db2.gz YPKXCZDNYXVALO-NHCUHLMSSA-N 1 3 423.605 3.817 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000429344625 976608646 /nfs/dbraw/zinc/60/86/46/976608646.db2.gz KKKUAPLIQBHFRR-RUZDIDTESA-N 1 3 423.601 3.939 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000429344625 976608656 /nfs/dbraw/zinc/60/86/56/976608656.db2.gz KKKUAPLIQBHFRR-RUZDIDTESA-N 1 3 423.601 3.939 20 0 HHADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000429490291 976747927 /nfs/dbraw/zinc/74/79/27/976747927.db2.gz LOTFBKHMAZGSLN-OFNKIYASSA-N 1 3 412.622 3.587 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000431626872 978394810 /nfs/dbraw/zinc/39/48/10/978394810.db2.gz CJADEDOYKNMRSF-UHFFFAOYSA-N 1 3 406.590 3.657 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677696 978430604 /nfs/dbraw/zinc/43/06/04/978430604.db2.gz FGCGIHFWFKHZTK-IRLDBZIGSA-N 1 3 424.589 3.939 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677696 978430607 /nfs/dbraw/zinc/43/06/07/978430607.db2.gz FGCGIHFWFKHZTK-IRLDBZIGSA-N 1 3 424.589 3.939 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688902 978436756 /nfs/dbraw/zinc/43/67/56/978436756.db2.gz FRATYHAYORYRJH-FGCOXFRFSA-N 1 3 406.574 3.613 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688902 978436757 /nfs/dbraw/zinc/43/67/57/978436757.db2.gz FRATYHAYORYRJH-FGCOXFRFSA-N 1 3 406.574 3.613 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704396 978447635 /nfs/dbraw/zinc/44/76/35/978447635.db2.gz XARQFAFRHQMCQO-DHLKQENFSA-N 1 3 420.601 3.957 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704396 978447637 /nfs/dbraw/zinc/44/76/37/978447637.db2.gz XARQFAFRHQMCQO-DHLKQENFSA-N 1 3 420.601 3.957 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(C3CC3)[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000431789254 978514489 /nfs/dbraw/zinc/51/44/89/978514489.db2.gz AKPRNWGHGMAWBV-DEOSSOPVSA-N 1 3 410.606 3.797 20 0 HHADHO COC(=O)c1cc([C@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)oc1C ZINC000432821233 978985024 /nfs/dbraw/zinc/98/50/24/978985024.db2.gz WLHDZRQPIPRPCU-KRWDZBQOSA-N 1 3 405.583 3.564 20 0 HHADHO CN(C)Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000433063478 979055958 /nfs/dbraw/zinc/05/59/58/979055958.db2.gz YBTYNGCDOAYQKC-UHFFFAOYSA-N 1 3 415.603 3.603 20 0 HHADHO Cc1c(C)c(C)c(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1C ZINC000434966221 980537214 /nfs/dbraw/zinc/53/72/14/980537214.db2.gz JLDHMMSLXCFDAS-UHFFFAOYSA-N 1 3 400.611 3.587 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466114 981800299 /nfs/dbraw/zinc/80/02/99/981800299.db2.gz MIGILULBEDXFGB-YSIASYRMSA-N 1 3 402.608 3.543 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448466114 981800314 /nfs/dbraw/zinc/80/03/14/981800314.db2.gz MIGILULBEDXFGB-YSIASYRMSA-N 1 3 402.608 3.543 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466222 981801692 /nfs/dbraw/zinc/80/16/92/981801692.db2.gz LRIOBSGGHHHGJM-QTJGBDASSA-N 1 3 410.606 3.790 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466222 981801702 /nfs/dbraw/zinc/80/17/02/981801702.db2.gz LRIOBSGGHHHGJM-QTJGBDASSA-N 1 3 410.606 3.790 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)Nc3ccccc3CC[NH+](C)C)c(C)c2)CC1 ZINC000437918334 982462660 /nfs/dbraw/zinc/46/26/60/982462660.db2.gz RDIJYDQDBPSWOO-UHFFFAOYSA-N 1 3 409.578 3.885 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)(N2CCCCC2)CC1 ZINC000437979873 982503939 /nfs/dbraw/zinc/50/39/39/982503939.db2.gz ZGWAVKSQSPQMLQ-UHFFFAOYSA-N 1 3 416.463 3.916 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438083894 982578523 /nfs/dbraw/zinc/57/85/23/982578523.db2.gz WWWYYIHCLYCBRF-QFIPXVFZSA-N 1 3 416.635 3.664 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438083894 982578532 /nfs/dbraw/zinc/57/85/32/982578532.db2.gz WWWYYIHCLYCBRF-QFIPXVFZSA-N 1 3 416.635 3.664 20 0 HHADHO C[C@]1(c2ccccc2)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438495799 982838877 /nfs/dbraw/zinc/83/88/77/982838877.db2.gz WPKUQIXLZHIIKB-DEOSSOPVSA-N 1 3 409.599 3.838 20 0 HHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260176 982965839 /nfs/dbraw/zinc/96/58/39/982965839.db2.gz CBMJYQZBEBHCPV-FPOVZHCZSA-N 1 3 411.512 3.774 20 0 HHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260176 982965843 /nfs/dbraw/zinc/96/58/43/982965843.db2.gz CBMJYQZBEBHCPV-FPOVZHCZSA-N 1 3 411.512 3.774 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429654 983092380 /nfs/dbraw/zinc/09/23/80/983092380.db2.gz NWYYNJZKJBZLQK-RPBOFIJWSA-N 1 3 403.570 3.877 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429654 983092386 /nfs/dbraw/zinc/09/23/86/983092386.db2.gz NWYYNJZKJBZLQK-RPBOFIJWSA-N 1 3 403.570 3.877 20 0 HHADHO CSC1(CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)CC[NH+](C)CC1 ZINC000461510624 983157894 /nfs/dbraw/zinc/15/78/94/983157894.db2.gz FWJSVIHVFJHSIA-OAQYLSRUSA-N 1 3 420.667 3.614 20 0 HHADHO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000439024734 983216938 /nfs/dbraw/zinc/21/69/38/983216938.db2.gz VGNGBRVLXZOIBQ-IBGZPJMESA-N 1 3 403.567 3.690 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076107 983238716 /nfs/dbraw/zinc/23/87/16/983238716.db2.gz HABMZMZRPQFFDK-QFIPXVFZSA-N 1 3 415.626 3.769 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)c(C)c2)CC1 ZINC000439076107 983238721 /nfs/dbraw/zinc/23/87/21/983238721.db2.gz HABMZMZRPQFFDK-QFIPXVFZSA-N 1 3 415.626 3.769 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194282 983302452 /nfs/dbraw/zinc/30/24/52/983302452.db2.gz VYIVLSIJADEUAK-JXALWOEJSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194282 983302455 /nfs/dbraw/zinc/30/24/55/983302455.db2.gz VYIVLSIJADEUAK-JXALWOEJSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000439204557 983309968 /nfs/dbraw/zinc/30/99/68/983309968.db2.gz YOADILMAOSIROY-LRZVDXDASA-N 1 3 413.610 3.513 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194383 983678330 /nfs/dbraw/zinc/67/83/30/983678330.db2.gz YMFPHFIEHLBMOJ-NTKDMRAZSA-N 1 3 423.605 3.772 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1(C)C ZINC000441341511 984196558 /nfs/dbraw/zinc/19/65/58/984196558.db2.gz OBSMPSQBVOEJAY-UHFFFAOYSA-N 1 3 423.424 3.688 20 0 HHADHO CCOc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OCc1ccccc1 ZINC000441353665 984203170 /nfs/dbraw/zinc/20/31/70/984203170.db2.gz HBFSEZYLIAIOQZ-UHFFFAOYSA-N 1 3 411.590 3.780 20 0 HHADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462741459 985682966 /nfs/dbraw/zinc/68/29/66/985682966.db2.gz ULLCVDURJRTWAR-JOCHJYFZSA-N 1 3 412.578 3.655 20 0 HHADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741459 985682971 /nfs/dbraw/zinc/68/29/71/985682971.db2.gz ULLCVDURJRTWAR-JOCHJYFZSA-N 1 3 412.578 3.655 20 0 HHADHO CC1CC[NH+](CCC[C@H](NC[C@@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800510 985732755 /nfs/dbraw/zinc/73/27/55/985732755.db2.gz FTZNBUFUXOGPKO-RPWUZVMVSA-N 1 3 403.586 3.832 20 0 HHADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)cc1F ZINC000443597079 985773142 /nfs/dbraw/zinc/77/31/42/985773142.db2.gz YYLYNJXNBRCRAF-IBGZPJMESA-N 1 3 419.585 3.769 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133850 986100370 /nfs/dbraw/zinc/10/03/70/986100370.db2.gz WCYHTCRCEPRQHI-VJBMBRPKSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133850 986100377 /nfs/dbraw/zinc/10/03/77/986100377.db2.gz WCYHTCRCEPRQHI-VJBMBRPKSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1OC ZINC000463133850 986100384 /nfs/dbraw/zinc/10/03/84/986100384.db2.gz WCYHTCRCEPRQHI-VJBMBRPKSA-N 1 3 411.590 3.949 20 0 HHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CCN1Cc1ccccc1 ZINC000463244825 986212854 /nfs/dbraw/zinc/21/28/54/986212854.db2.gz YZRHPLGTLMCMEI-DNRSQYFGSA-N 1 3 407.602 3.920 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC2)CC1 ZINC000444925154 987072069 /nfs/dbraw/zinc/07/20/69/987072069.db2.gz UDXMOPUQCXBKCL-UHFFFAOYSA-N 1 3 424.536 3.822 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000469566064 987235429 /nfs/dbraw/zinc/23/54/29/987235429.db2.gz YVCDWSVQGQXBGU-HSZRJFAPSA-N 1 3 400.611 3.849 20 0 HHADHO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000470095747 987996911 /nfs/dbraw/zinc/99/69/11/987996911.db2.gz BUMVCDBKNZDBJO-UHFFFAOYSA-N 1 3 409.574 3.985 20 0 HHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229110 988162379 /nfs/dbraw/zinc/16/23/79/988162379.db2.gz AHXCEHLUKZDXFH-RBBKRZOGSA-N 1 3 423.523 3.631 20 0 HHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229110 988162382 /nfs/dbraw/zinc/16/23/82/988162382.db2.gz AHXCEHLUKZDXFH-RBBKRZOGSA-N 1 3 423.523 3.631 20 0 HHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675104 988699725 /nfs/dbraw/zinc/69/97/25/988699725.db2.gz PJKYGKIQRGXXRS-XMMPIXPASA-N 1 3 400.526 3.984 20 0 HHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675104 988699729 /nfs/dbraw/zinc/69/97/29/988699729.db2.gz PJKYGKIQRGXXRS-XMMPIXPASA-N 1 3 400.526 3.984 20 0 HHADHO Clc1ccc(-c2noc(CC[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000471006336 989073893 /nfs/dbraw/zinc/07/38/93/989073893.db2.gz MYJOETOVJMQVKY-BGYRXZFFSA-N 1 3 408.933 3.996 20 0 HHADHO Clc1ccc(-c2noc(CC[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000471006336 989073907 /nfs/dbraw/zinc/07/39/07/989073907.db2.gz MYJOETOVJMQVKY-BGYRXZFFSA-N 1 3 408.933 3.996 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(=Cc4ccccc4F)CC3)CC2)CC1 ZINC000464950782 989245610 /nfs/dbraw/zinc/24/56/10/989245610.db2.gz QJQIHSDXNHDSHV-UHFFFAOYSA-N 1 3 414.569 3.573 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471394656 989572398 /nfs/dbraw/zinc/57/23/98/989572398.db2.gz QRBATDBTKHJWMA-BGYRXZFFSA-N 1 3 403.526 3.698 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471394656 989572407 /nfs/dbraw/zinc/57/24/07/989572407.db2.gz QRBATDBTKHJWMA-BGYRXZFFSA-N 1 3 403.526 3.698 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511844 989710650 /nfs/dbraw/zinc/71/06/50/989710650.db2.gz UPSKMTFBJPEMNP-BDTNDASRSA-N 1 3 424.614 3.658 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471511844 989710660 /nfs/dbraw/zinc/71/06/60/989710660.db2.gz UPSKMTFBJPEMNP-BDTNDASRSA-N 1 3 424.614 3.658 20 0 HHADHO CC[NH+]1CCC(CCNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000465420507 989766191 /nfs/dbraw/zinc/76/61/91/989766191.db2.gz IOXSIXFIPMCKOE-HXUWFJFHSA-N 1 3 406.640 3.942 20 0 HHADHO CN(CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747440 990132974 /nfs/dbraw/zinc/13/29/74/990132974.db2.gz FOPKXCHERTVZLH-PZJWPPBQSA-N 1 3 400.592 3.562 20 0 HHADHO CN(CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747440 990132979 /nfs/dbraw/zinc/13/29/79/990132979.db2.gz FOPKXCHERTVZLH-PZJWPPBQSA-N 1 3 400.592 3.562 20 0 HHADHO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465806795 990189388 /nfs/dbraw/zinc/18/93/88/990189388.db2.gz HBVWGIPSVLSCQS-UWJYYQICSA-N 1 3 402.583 3.629 20 0 HHADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466102221 991280945 /nfs/dbraw/zinc/28/09/45/991280945.db2.gz RQSIRSXDVSXHJN-UHFFFAOYSA-N 1 3 414.516 3.653 20 0 HHADHO CCCCOc1ccccc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000466152805 991339087 /nfs/dbraw/zinc/33/90/87/991339087.db2.gz GJOKGXIESWBZMN-UHFFFAOYSA-N 1 3 402.583 3.937 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248280 991484027 /nfs/dbraw/zinc/48/40/27/991484027.db2.gz KTEOOYDVXWWQKA-ZODMCCGTSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248280 991484036 /nfs/dbraw/zinc/48/40/36/991484036.db2.gz KTEOOYDVXWWQKA-ZODMCCGTSA-N 1 3 420.601 3.513 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)N2CCCC2)cc1 ZINC000467096292 992401779 /nfs/dbraw/zinc/40/17/79/992401779.db2.gz POAKAAIUTZBKAO-DEOSSOPVSA-N 1 3 408.590 3.735 20 0 HHADHO C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)ccc1OC(F)F ZINC000480738121 993604717 /nfs/dbraw/zinc/60/47/17/993604717.db2.gz JWOPOOOVHAFELL-CQSZACIVSA-N 1 3 410.896 3.939 20 0 HHADHO COc1ccccc1[C@H](CC(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000473023736 993943874 /nfs/dbraw/zinc/94/38/74/993943874.db2.gz ODQCZDRWCKNFMX-QFIPXVFZSA-N 1 3 416.610 3.640 20 0 HHADHO COc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000481195831 994029072 /nfs/dbraw/zinc/02/90/72/994029072.db2.gz YAWLRPKAGXIOAZ-UZLBHIALSA-N 1 3 401.938 3.787 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209756 994042683 /nfs/dbraw/zinc/04/26/83/994042683.db2.gz PGLWTNSVYRICDX-NIJXNBFTSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209756 994042684 /nfs/dbraw/zinc/04/26/84/994042684.db2.gz PGLWTNSVYRICDX-NIJXNBFTSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559367 994393038 /nfs/dbraw/zinc/39/30/38/994393038.db2.gz FQEZTGXWFXHUOX-WZONZLPQSA-N 1 3 411.546 3.595 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835363 994768569 /nfs/dbraw/zinc/76/85/69/994768569.db2.gz KMBZMZXDVNAMKI-OFNKIYASSA-N 1 3 421.589 3.786 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835363 994768577 /nfs/dbraw/zinc/76/85/77/994768577.db2.gz KMBZMZXDVNAMKI-OFNKIYASSA-N 1 3 421.589 3.786 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071963 995058600 /nfs/dbraw/zinc/05/86/00/995058600.db2.gz HNUHIAPUOJZSOV-YKSBVNFPSA-N 1 3 421.585 3.905 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071963 995058609 /nfs/dbraw/zinc/05/86/09/995058609.db2.gz HNUHIAPUOJZSOV-YKSBVNFPSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541932 995550236 /nfs/dbraw/zinc/55/02/36/995550236.db2.gz HPPUVCWPMSTURQ-WIYYLYMNSA-N 1 3 413.537 3.643 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482559987 995566600 /nfs/dbraw/zinc/56/66/00/995566600.db2.gz ZCZMLXGPOBFKCG-KRWDZBQOSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000482562621 995569530 /nfs/dbraw/zinc/56/95/30/995569530.db2.gz XNRIWCIXWDXHOM-LJQANCHMSA-N 1 3 407.558 3.621 20 0 HHADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570406 995575585 /nfs/dbraw/zinc/57/55/85/995575585.db2.gz WJHQWFXYMZBZQZ-YJBOKZPZSA-N 1 3 416.566 3.504 20 0 HHADHO C[C@H]1C[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875075 995809280 /nfs/dbraw/zinc/80/92/80/995809280.db2.gz QJWNEZNXUKTOQZ-KBXCAEBGSA-N 1 3 408.384 3.530 20 0 HHADHO CCN1CCN(c2ccccc2CNc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000475107822 995926593 /nfs/dbraw/zinc/92/65/93/995926593.db2.gz LVBGWUPCNMTPJA-UHFFFAOYSA-N 1 3 407.606 3.583 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475184750 995981034 /nfs/dbraw/zinc/98/10/34/995981034.db2.gz UVURZQWQBZVKJD-KIFXHHALSA-N 1 3 412.622 3.945 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475184750 995981042 /nfs/dbraw/zinc/98/10/42/995981042.db2.gz UVURZQWQBZVKJD-KIFXHHALSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483133345 995994802 /nfs/dbraw/zinc/99/48/02/995994802.db2.gz HSJNFYRIZKMHSC-ROUUACIJSA-N 1 3 401.576 3.934 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140175 995998860 /nfs/dbraw/zinc/99/88/60/995998860.db2.gz ZSOAHWNGNFWTIC-DSKINZAPSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483140175 995998863 /nfs/dbraw/zinc/99/88/63/995998863.db2.gz ZSOAHWNGNFWTIC-DSKINZAPSA-N 1 3 424.427 3.754 20 0 HHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475270246 996037152 /nfs/dbraw/zinc/03/71/52/996037152.db2.gz PXSVDWBLHWPDRE-SFHVURJKSA-N 1 3 408.498 3.840 20 0 HHADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475270246 996037157 /nfs/dbraw/zinc/03/71/57/996037157.db2.gz PXSVDWBLHWPDRE-SFHVURJKSA-N 1 3 408.498 3.840 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475280104 996042189 /nfs/dbraw/zinc/04/21/89/996042189.db2.gz NFAATSSRURUGQC-QHCPKHFHSA-N 1 3 400.611 3.660 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487170 996212469 /nfs/dbraw/zinc/21/24/69/996212469.db2.gz AQPUNABPFBMSTO-DGWZTRNLSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487170 996212476 /nfs/dbraw/zinc/21/24/76/996212476.db2.gz AQPUNABPFBMSTO-DGWZTRNLSA-N 1 3 424.585 3.559 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487561 996213267 /nfs/dbraw/zinc/21/32/67/996213267.db2.gz RBEHGXAJANQRHR-BFLUCZKCSA-N 1 3 424.585 3.559 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487561 996213274 /nfs/dbraw/zinc/21/32/74/996213274.db2.gz RBEHGXAJANQRHR-BFLUCZKCSA-N 1 3 424.585 3.559 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(COc4ccccc4)cc3)CC2)CC1 ZINC000483921370 996470222 /nfs/dbraw/zinc/47/02/22/996470222.db2.gz VUTAQUCGZOTSHT-UHFFFAOYSA-N 1 3 422.573 3.946 20 0 HHADHO CC1CCN(c2cccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)CC1 ZINC000483937621 996478428 /nfs/dbraw/zinc/47/84/28/996478428.db2.gz FZNSVKQDJYHTJS-UHFFFAOYSA-N 1 3 413.610 3.603 20 0 HHADHO C[NH+]1CCC(O)(CN[C@@H](Cc2ccccc2F)c2ccccc2Br)CC1 ZINC000484178810 996619805 /nfs/dbraw/zinc/61/98/05/996619805.db2.gz YCDZGVKZUNSVHY-FQEVSTJZSA-N 1 3 421.354 3.918 20 0 HHADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000484483402 996804359 /nfs/dbraw/zinc/80/43/59/996804359.db2.gz LROQWKFLDMXBQZ-ZDUSSCGKSA-N 1 3 407.452 3.566 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564311 997059009 /nfs/dbraw/zinc/05/90/09/997059009.db2.gz KVLZFGBXNZBLPR-AAZCMCCISA-N 1 3 420.601 3.654 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564311 997059023 /nfs/dbraw/zinc/05/90/23/997059023.db2.gz KVLZFGBXNZBLPR-AAZCMCCISA-N 1 3 420.601 3.654 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@H]1C ZINC000485016566 997381553 /nfs/dbraw/zinc/38/15/53/997381553.db2.gz KNAWDDVSJRMYEZ-NQIIRXRSSA-N 1 3 404.624 3.614 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@H]1C ZINC000485016566 997381563 /nfs/dbraw/zinc/38/15/63/997381563.db2.gz KNAWDDVSJRMYEZ-NQIIRXRSSA-N 1 3 404.624 3.614 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000476877487 997456539 /nfs/dbraw/zinc/45/65/39/997456539.db2.gz GBOLUNZRUCOWKQ-DEOSSOPVSA-N 1 3 424.589 3.783 20 0 HHADHO Cc1cccc(C)c1NC(=O)CCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000485121319 997504799 /nfs/dbraw/zinc/50/47/99/997504799.db2.gz IQYPOFDLAHSSTL-UHFFFAOYSA-N 1 3 422.617 3.772 20 0 HHADHO Cc1cccc(C)c1NC(=O)CCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000485121319 997504807 /nfs/dbraw/zinc/50/48/07/997504807.db2.gz IQYPOFDLAHSSTL-UHFFFAOYSA-N 1 3 422.617 3.772 20 0 HHADHO CN(C)C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000476906704 997513095 /nfs/dbraw/zinc/51/30/95/997513095.db2.gz XQLHBWCZIKWJLD-HSZRJFAPSA-N 1 3 412.553 3.914 20 0 HHADHO C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000485247148 997632396 /nfs/dbraw/zinc/63/23/96/997632396.db2.gz REYCLXMSZMORAZ-GBXCKJPGSA-N 1 3 408.590 3.889 20 0 HHADHO CN(C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000477160209 997822255 /nfs/dbraw/zinc/82/22/55/997822255.db2.gz KFMLQIOEJYQAJH-DEOSSOPVSA-N 1 3 412.622 3.599 20 0 HHADHO COCc1cccc(OCC2(C[NH+]3CCC(CN4C[C@@H](C)O[C@@H](C)C4)CC3)CC2)c1 ZINC000477369820 998057262 /nfs/dbraw/zinc/05/72/62/998057262.db2.gz YBCZYCREDOLYEV-OYRHEFFESA-N 1 3 416.606 3.813 20 0 HHADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cc1ccc(F)c(F)c1 ZINC000477941265 998671031 /nfs/dbraw/zinc/67/10/31/998671031.db2.gz RYUAGEBRTXEKTE-SEDAZVQISA-N 1 3 400.513 3.616 20 0 HHADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000477955244 998680123 /nfs/dbraw/zinc/68/01/23/998680123.db2.gz ONNRXBVCRBWUHK-GRERDSQWSA-N 1 3 409.496 3.574 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000486757656 998926203 /nfs/dbraw/zinc/92/62/03/998926203.db2.gz BFBZYENVZQMOIT-UBFVSLLYSA-N 1 3 424.633 3.913 20 0 HHADHO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccccc3CN(C)C)cc2)C[C@H]1C ZINC000486823116 998956844 /nfs/dbraw/zinc/95/68/44/998956844.db2.gz KRWUMNBIVAJNOM-OYRHEFFESA-N 1 3 423.601 3.687 20 0 HHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccccc3CN(C)C)cc2)C[C@H]1C ZINC000486823116 998956849 /nfs/dbraw/zinc/95/68/49/998956849.db2.gz KRWUMNBIVAJNOM-OYRHEFFESA-N 1 3 423.601 3.687 20 0 HHADHO CC(C)c1c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cnn1-c1ccccc1 ZINC000486911271 999002754 /nfs/dbraw/zinc/00/27/54/999002754.db2.gz ZJKLZDGWAXUGGH-UHFFFAOYSA-N 1 3 424.593 3.676 20 0 HHADHO CC(C)C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051467 999268004 /nfs/dbraw/zinc/26/80/04/999268004.db2.gz AALLUXFMDWSNGH-HKUYNNGSSA-N 1 3 410.400 3.713 20 0 HHADHO CC(C)C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051467 999268006 /nfs/dbraw/zinc/26/80/06/999268006.db2.gz AALLUXFMDWSNGH-HKUYNNGSSA-N 1 3 410.400 3.713 20 0 HHADHO CC(C)C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051475 999268165 /nfs/dbraw/zinc/26/81/65/999268165.db2.gz AALLUXFMDWSNGH-MJGOQNOKSA-N 1 3 410.400 3.713 20 0 HHADHO CC(C)C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Br)c1 ZINC000479051475 999268170 /nfs/dbraw/zinc/26/81/70/999268170.db2.gz AALLUXFMDWSNGH-MJGOQNOKSA-N 1 3 410.400 3.713 20 0 HHADHO CN1CCC([NH+]2CCC(NCc3cc(Br)c(Cl)s3)CC2)CC1 ZINC000480364445 999781155 /nfs/dbraw/zinc/78/11/55/999781155.db2.gz MYZDLJHKTJVNLR-UHFFFAOYSA-N 1 3 406.821 3.812 20 0 HHADHO C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000489565429 999793250 /nfs/dbraw/zinc/79/32/50/999793250.db2.gz ZHYHOYWHMRSANK-CQSZACIVSA-N 1 3 407.331 3.586 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(-c4cccc(Cl)c4)on3)CC2)CC1 ZINC000489584642 999797520 /nfs/dbraw/zinc/79/75/20/999797520.db2.gz MFWATLXWXHRXCM-UHFFFAOYSA-N 1 3 417.941 3.675 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480468267 999806136 /nfs/dbraw/zinc/80/61/36/999806136.db2.gz OABFSVDKMWULBY-SFHVURJKSA-N 1 3 401.576 3.895 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000489861274 999850473 /nfs/dbraw/zinc/85/04/73/999850473.db2.gz DXYAXBAYXAACOL-UHFFFAOYSA-N 1 3 408.590 3.815 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000489861274 999850475 /nfs/dbraw/zinc/85/04/75/999850475.db2.gz DXYAXBAYXAACOL-UHFFFAOYSA-N 1 3 408.590 3.815 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000489910566 999860474 /nfs/dbraw/zinc/86/04/74/999860474.db2.gz JABOUVQFQVNERW-UHFFFAOYSA-N 1 3 400.611 3.947 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000489910566 999860477 /nfs/dbraw/zinc/86/04/77/999860477.db2.gz JABOUVQFQVNERW-UHFFFAOYSA-N 1 3 400.611 3.947 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000490355642 999943531 /nfs/dbraw/zinc/94/35/31/999943531.db2.gz QSBLKVBTSRJBBF-YZGWKJHDSA-N 1 3 403.368 3.536 20 0 HHADHO CN(C)[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000490951185 1000026550 /nfs/dbraw/zinc/02/65/50/1000026550.db2.gz OKKZUXCTASBBMR-JOCHJYFZSA-N 1 3 412.603 3.702 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+]1CCC(C)CC1 ZINC000490980311 1000030174 /nfs/dbraw/zinc/03/01/74/1000030174.db2.gz IJWLUJSEJFACPH-LJQANCHMSA-N 1 3 404.624 3.520 20 0 HHADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000492147818 1000111782 /nfs/dbraw/zinc/11/17/82/1000111782.db2.gz KYEBCTVBMYKDJC-UHFFFAOYSA-N 1 3 421.585 3.782 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1)C1CC1 ZINC000504557430 1000268637 /nfs/dbraw/zinc/26/86/37/1000268637.db2.gz ZKLCAPFAGNZHDH-UHFFFAOYSA-N 1 3 420.601 3.845 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1)C1CC1 ZINC000504557430 1000268640 /nfs/dbraw/zinc/26/86/40/1000268640.db2.gz ZKLCAPFAGNZHDH-UHFFFAOYSA-N 1 3 420.601 3.845 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Br)cs1 ZINC000494617833 1000576525 /nfs/dbraw/zinc/57/65/25/1000576525.db2.gz CDMMISQSHYUOPG-ZDUSSCGKSA-N 1 3 410.381 3.653 20 0 HHADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446153 1001370094 /nfs/dbraw/zinc/37/00/94/1001370094.db2.gz SCQKNKJMBXERQB-UTKZUKDTSA-N 1 3 400.542 3.857 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000506515687 1001447774 /nfs/dbraw/zinc/44/77/74/1001447774.db2.gz LQOPXSBDBAYFJF-NRFANRHFSA-N 1 3 407.549 3.772 20 0 HHADHO CC(C)[NH+](CCN(C)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)C ZINC000506891588 1001582991 /nfs/dbraw/zinc/58/29/91/1001582991.db2.gz AKPHFBWCLIPFRP-UHFFFAOYSA-N 1 3 406.640 3.860 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934168 1001601847 /nfs/dbraw/zinc/60/18/47/1001601847.db2.gz OIAKFMGUTURZTL-RTWAWAEBSA-N 1 3 422.683 3.644 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934168 1001601853 /nfs/dbraw/zinc/60/18/53/1001601853.db2.gz OIAKFMGUTURZTL-RTWAWAEBSA-N 1 3 422.683 3.644 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952214 1001725079 /nfs/dbraw/zinc/72/50/79/1001725079.db2.gz NUKVCIOAFQTVDI-YADHBBJMSA-N 1 3 412.622 3.731 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952214 1001725086 /nfs/dbraw/zinc/72/50/86/1001725086.db2.gz NUKVCIOAFQTVDI-YADHBBJMSA-N 1 3 412.622 3.731 20 0 HHADHO Cc1ccccc1[C@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204343 1001892583 /nfs/dbraw/zinc/89/25/83/1001892583.db2.gz KOXRIQXRZFPBCN-GGAORHGYSA-N 1 3 405.586 3.954 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706345 1002090325 /nfs/dbraw/zinc/09/03/25/1002090325.db2.gz FYAOSHLRGVIBLD-IFMALSPDSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706345 1002090334 /nfs/dbraw/zinc/09/03/34/1002090334.db2.gz FYAOSHLRGVIBLD-IFMALSPDSA-N 1 3 424.589 3.796 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717167 1002098478 /nfs/dbraw/zinc/09/84/78/1002098478.db2.gz LVTKGWOWBFAOCL-IRLDBZIGSA-N 1 3 412.578 3.572 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717167 1002098491 /nfs/dbraw/zinc/09/84/91/1002098491.db2.gz LVTKGWOWBFAOCL-IRLDBZIGSA-N 1 3 412.578 3.572 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)N1Cc2ccccc2C1 ZINC000507522682 1002131251 /nfs/dbraw/zinc/13/12/51/1002131251.db2.gz BNCIZNLPVSJOMA-UBFVSLLYSA-N 1 3 403.570 3.809 20 0 HHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000507691078 1002283019 /nfs/dbraw/zinc/28/30/19/1002283019.db2.gz YNDHSWZYMACYMP-OAQYLSRUSA-N 1 3 417.500 3.723 20 0 HHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149881 1002533318 /nfs/dbraw/zinc/53/33/18/1002533318.db2.gz VFSVZNIQSLTINP-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149881 1002533331 /nfs/dbraw/zinc/53/33/31/1002533331.db2.gz VFSVZNIQSLTINP-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149881 1002533342 /nfs/dbraw/zinc/53/33/42/1002533342.db2.gz VFSVZNIQSLTINP-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)c1ccccc1OC ZINC000508577052 1003040423 /nfs/dbraw/zinc/04/04/23/1003040423.db2.gz FFRXOYJRSUAVDK-LJQANCHMSA-N 1 3 416.610 3.736 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508712116 1003150946 /nfs/dbraw/zinc/15/09/46/1003150946.db2.gz BTVJRJDYHWOEBH-SLRMUYRHSA-N 1 3 413.512 3.737 20 0 HHADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1)[NH+](C)C ZINC000508870114 1003291075 /nfs/dbraw/zinc/29/10/75/1003291075.db2.gz KQWLJAFLZGJYEH-SIKLNZKXSA-N 1 3 400.567 3.743 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000509370247 1003798354 /nfs/dbraw/zinc/79/83/54/1003798354.db2.gz FUXZFOZWUKEUDT-RBBKRZOGSA-N 1 3 422.598 3.593 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000509370247 1003798361 /nfs/dbraw/zinc/79/83/61/1003798361.db2.gz FUXZFOZWUKEUDT-RBBKRZOGSA-N 1 3 422.598 3.593 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719442 1003918970 /nfs/dbraw/zinc/91/89/70/1003918970.db2.gz ZOCIKFPLSAABAN-REWPJTCUSA-N 1 3 421.589 3.775 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccccc3OCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000512183739 1004086019 /nfs/dbraw/zinc/08/60/19/1004086019.db2.gz VXHDVBSXIVSYFI-IRXDYDNUSA-N 1 3 400.485 3.949 20 0 HHADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025450 1004128612 /nfs/dbraw/zinc/12/86/12/1004128612.db2.gz FJENHZWHQSDJBE-UHFFFAOYSA-N 1 3 421.589 3.777 20 0 HHADHO C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045416 1004147357 /nfs/dbraw/zinc/14/73/57/1004147357.db2.gz JVPRHIBZDMIBMX-MRXNPFEDSA-N 1 3 418.488 3.858 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000501065676 1004168530 /nfs/dbraw/zinc/16/85/30/1004168530.db2.gz GUUCJMOIOZUWAG-XMMPIXPASA-N 1 3 421.589 3.604 20 0 HHADHO COc1ccc([C@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C(C)C)cc1 ZINC000501068082 1004170197 /nfs/dbraw/zinc/17/01/97/1004170197.db2.gz KOQDXIZNRCWIED-RUZDIDTESA-N 1 3 424.589 3.752 20 0 HHADHO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271583 1004172594 /nfs/dbraw/zinc/17/25/94/1004172594.db2.gz UWMZRXQSZYVOHY-OFVILXPXSA-N 1 3 405.542 3.506 20 0 HHADHO O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271583 1004172601 /nfs/dbraw/zinc/17/26/01/1004172601.db2.gz UWMZRXQSZYVOHY-OFVILXPXSA-N 1 3 405.542 3.506 20 0 HHADHO O[C@@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279225 1004180471 /nfs/dbraw/zinc/18/04/71/1004180471.db2.gz RVVYATSJDVNUNV-NFBKMPQASA-N 1 3 400.950 3.678 20 0 HHADHO O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279225 1004180476 /nfs/dbraw/zinc/18/04/76/1004180476.db2.gz RVVYATSJDVNUNV-NFBKMPQASA-N 1 3 400.950 3.678 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000512318211 1004213960 /nfs/dbraw/zinc/21/39/60/1004213960.db2.gz LWGIFKQRFKQVNC-KSZLIROESA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318211 1004213969 /nfs/dbraw/zinc/21/39/69/1004213969.db2.gz LWGIFKQRFKQVNC-KSZLIROESA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318211 1004213978 /nfs/dbraw/zinc/21/39/78/1004213978.db2.gz LWGIFKQRFKQVNC-KSZLIROESA-N 1 3 403.567 3.664 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425057 1004291326 /nfs/dbraw/zinc/29/13/26/1004291326.db2.gz WXXHBCGDFXEGHF-IFMALSPDSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425057 1004291335 /nfs/dbraw/zinc/29/13/35/1004291335.db2.gz WXXHBCGDFXEGHF-IFMALSPDSA-N 1 3 400.611 3.803 20 0 HHADHO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000512432758 1004298873 /nfs/dbraw/zinc/29/88/73/1004298873.db2.gz TYVLSJBXBOCCRZ-UHFFFAOYSA-N 1 3 402.542 3.799 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387587 1004383226 /nfs/dbraw/zinc/38/32/26/1004383226.db2.gz IADCSYLSISTWLD-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387587 1004383238 /nfs/dbraw/zinc/38/32/38/1004383238.db2.gz IADCSYLSISTWLD-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000510244550 1004421092 /nfs/dbraw/zinc/42/10/92/1004421092.db2.gz UDCNKIMQBJMFCD-RTWAWAEBSA-N 1 3 405.533 3.621 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)c2cccs2)CC1 ZINC000510346158 1004497519 /nfs/dbraw/zinc/49/75/19/1004497519.db2.gz KDHFOMZNZAZDBS-IBGZPJMESA-N 1 3 404.624 3.791 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)c2cccs2)CC1 ZINC000510346159 1004497724 /nfs/dbraw/zinc/49/77/24/1004497724.db2.gz KDHFOMZNZAZDBS-LJQANCHMSA-N 1 3 404.624 3.791 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693164 1004499089 /nfs/dbraw/zinc/49/90/89/1004499089.db2.gz HKRGDGYUIVFUFX-ZWKOTPCHSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693164 1004499091 /nfs/dbraw/zinc/49/90/91/1004499091.db2.gz HKRGDGYUIVFUFX-ZWKOTPCHSA-N 1 3 422.564 3.691 20 0 HHADHO CC[NH+](CC)CCOc1cc(NC(=O)N2CCN(C3CCCC3)CC2)ccc1OC ZINC000501649222 1004574769 /nfs/dbraw/zinc/57/47/69/1004574769.db2.gz YVCOPXZKCYRIME-UHFFFAOYSA-N 1 3 418.582 3.508 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)N(C)C)cc1 ZINC000512820094 1004579366 /nfs/dbraw/zinc/57/93/66/1004579366.db2.gz JGQVIANVPMALKX-JOCHJYFZSA-N 1 3 404.599 3.592 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580751 /nfs/dbraw/zinc/58/07/51/1004580751.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580763 /nfs/dbraw/zinc/58/07/63/1004580763.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580774 /nfs/dbraw/zinc/58/07/74/1004580774.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](COC(F)F)C2)C1 ZINC000512821669 1004580785 /nfs/dbraw/zinc/58/07/85/1004580785.db2.gz CWFMIPVCUKVORZ-IYBDPMFKSA-N 1 3 404.448 3.809 20 0 HHADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544868 1004677411 /nfs/dbraw/zinc/67/74/11/1004677411.db2.gz JQMLJTVCIHLSNP-NSHGMRRFSA-N 1 3 404.624 3.837 20 0 HHADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544868 1004677414 /nfs/dbraw/zinc/67/74/14/1004677414.db2.gz JQMLJTVCIHLSNP-NSHGMRRFSA-N 1 3 404.624 3.837 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000512916597 1004687832 /nfs/dbraw/zinc/68/78/32/1004687832.db2.gz DTRCEPXYPQVOJL-QHCPKHFHSA-N 1 3 416.610 3.736 20 0 HHADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC000501779274 1004719127 /nfs/dbraw/zinc/71/91/27/1004719127.db2.gz ALXFQNOHGZBNMR-DEOSSOPVSA-N 1 3 406.574 3.741 20 0 HHADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793311 1004736042 /nfs/dbraw/zinc/73/60/42/1004736042.db2.gz VJFSJHFMJYJWMS-LYGPYEHVSA-N 1 3 419.654 3.530 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793311 1004736117 /nfs/dbraw/zinc/73/61/17/1004736117.db2.gz VJFSJHFMJYJWMS-LYGPYEHVSA-N 1 3 419.654 3.530 20 0 HHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCc3ccc(Br)cc32)c1 ZINC000510740951 1004827014 /nfs/dbraw/zinc/82/70/14/1004827014.db2.gz WUVWBLZSDNBUOM-FQEVSTJZSA-N 1 3 416.363 3.518 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000513346427 1004921429 /nfs/dbraw/zinc/92/14/29/1004921429.db2.gz VBQOLSVKAFZSAB-FYYLOGMGSA-N 1 3 400.611 3.615 20 0 HHADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000513365546 1004927891 /nfs/dbraw/zinc/92/78/91/1004927891.db2.gz GTELZRIXUQHACG-UHFFFAOYSA-N 1 3 420.601 3.615 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000513368982 1004929693 /nfs/dbraw/zinc/92/96/93/1004929693.db2.gz BYOLPNUIQHYKBE-QHCPKHFHSA-N 1 3 400.611 3.758 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000513372059 1004931012 /nfs/dbraw/zinc/93/10/12/1004931012.db2.gz ODLULZYCVCQRNZ-UHFFFAOYSA-N 1 3 408.590 3.703 20 0 HHADHO COC(=O)c1csc([C@H](C)[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000513712414 1005092503 /nfs/dbraw/zinc/09/25/03/1005092503.db2.gz BZCDOFLWUCRCJA-SFHVURJKSA-N 1 3 401.576 3.788 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514033130 1005236191 /nfs/dbraw/zinc/23/61/91/1005236191.db2.gz QBBHZJQDZQABDO-GBXCKJPGSA-N 1 3 406.574 3.917 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000502889494 1005260835 /nfs/dbraw/zinc/26/08/35/1005260835.db2.gz XLQGQNXYHWLEGP-REWPJTCUSA-N 1 3 416.610 3.643 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000502889494 1005260840 /nfs/dbraw/zinc/26/08/40/1005260840.db2.gz XLQGQNXYHWLEGP-REWPJTCUSA-N 1 3 416.610 3.643 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000502889490 1005260982 /nfs/dbraw/zinc/26/09/82/1005260982.db2.gz XLQGQNXYHWLEGP-NFBKMPQASA-N 1 3 416.610 3.643 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000502889490 1005260984 /nfs/dbraw/zinc/26/09/84/1005260984.db2.gz XLQGQNXYHWLEGP-NFBKMPQASA-N 1 3 416.610 3.643 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514115271 1005272334 /nfs/dbraw/zinc/27/23/34/1005272334.db2.gz QSNYBZKPCZHROR-JTHBVZDNSA-N 1 3 400.611 3.943 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514115271 1005272340 /nfs/dbraw/zinc/27/23/40/1005272340.db2.gz QSNYBZKPCZHROR-JTHBVZDNSA-N 1 3 400.611 3.943 20 0 HHADHO CC(C)(C)OC(=O)c1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000514243528 1005330022 /nfs/dbraw/zinc/33/00/22/1005330022.db2.gz UKGJTODDHKBPEH-HSZRJFAPSA-N 1 3 410.558 3.888 20 0 HHADHO CC(C)(C)OC(=O)c1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000514243528 1005330028 /nfs/dbraw/zinc/33/00/28/1005330028.db2.gz UKGJTODDHKBPEH-HSZRJFAPSA-N 1 3 410.558 3.888 20 0 HHADHO CCN(CC)[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1cccc(OC)c1 ZINC000531207461 1006047575 /nfs/dbraw/zinc/04/75/75/1006047575.db2.gz YRDOKGWQWDMEOX-XMMPIXPASA-N 1 3 424.589 3.814 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)N2CCCCC2)cc1 ZINC000515291111 1006380354 /nfs/dbraw/zinc/38/03/54/1006380354.db2.gz WPONNFLPLAILIC-ZEQRLZLVSA-N 1 3 424.589 3.824 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759443 1006403746 /nfs/dbraw/zinc/40/37/46/1006403746.db2.gz RAPIRMHDEDVQMF-XZOQPEGZSA-N 1 3 410.558 3.742 20 0 HHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866345 1006487148 /nfs/dbraw/zinc/48/71/48/1006487148.db2.gz PECHZLTZTYZTPC-FQEVSTJZSA-N 1 3 422.960 3.875 20 0 HHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866345 1006487151 /nfs/dbraw/zinc/48/71/51/1006487151.db2.gz PECHZLTZTYZTPC-FQEVSTJZSA-N 1 3 422.960 3.875 20 0 HHADHO c1ccc(CN2CCN(CCCC[NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000531955262 1006544120 /nfs/dbraw/zinc/54/41/20/1006544120.db2.gz RAVMIXCBGRMCOY-UHFFFAOYSA-N 1 3 406.618 3.843 20 0 HHADHO CC[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Br ZINC000531989897 1006563940 /nfs/dbraw/zinc/56/39/40/1006563940.db2.gz UKEGHXPYGFLAHG-IBGZPJMESA-N 1 3 403.368 3.837 20 0 HHADHO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccccc1Br ZINC000531989897 1006563948 /nfs/dbraw/zinc/56/39/48/1006563948.db2.gz UKEGHXPYGFLAHG-IBGZPJMESA-N 1 3 403.368 3.837 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000532042242 1006596338 /nfs/dbraw/zinc/59/63/38/1006596338.db2.gz GQCOXFKBAZPHJD-QFIPXVFZSA-N 1 3 422.617 3.843 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534683482 1006662089 /nfs/dbraw/zinc/66/20/89/1006662089.db2.gz VJOYCUNBAZSISJ-GPXOXTDOSA-N 1 3 420.601 3.985 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534683482 1006662098 /nfs/dbraw/zinc/66/20/98/1006662098.db2.gz VJOYCUNBAZSISJ-GPXOXTDOSA-N 1 3 420.601 3.985 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874121 1006729902 /nfs/dbraw/zinc/72/99/02/1006729902.db2.gz FDENRCGDCCAHII-NTKDMRAZSA-N 1 3 410.558 3.651 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874121 1006729909 /nfs/dbraw/zinc/72/99/09/1006729909.db2.gz FDENRCGDCCAHII-NTKDMRAZSA-N 1 3 410.558 3.651 20 0 HHADHO COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532225487 1006733399 /nfs/dbraw/zinc/73/33/99/1006733399.db2.gz XXNKJCKHMKENPH-URXFXBBRSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532225487 1006733407 /nfs/dbraw/zinc/73/34/07/1006733407.db2.gz XXNKJCKHMKENPH-URXFXBBRSA-N 1 3 407.558 3.560 20 0 HHADHO CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCN(Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000538546751 1006809119 /nfs/dbraw/zinc/80/91/19/1006809119.db2.gz QGMDJYQVNZDZMB-BWKNWUBXSA-N 1 3 407.606 3.935 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723156 1006999319 /nfs/dbraw/zinc/99/93/19/1006999319.db2.gz MYMNCWUFCGEWDG-OFNKIYASSA-N 1 3 409.622 3.628 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723156 1006999326 /nfs/dbraw/zinc/99/93/26/1006999326.db2.gz MYMNCWUFCGEWDG-OFNKIYASSA-N 1 3 409.622 3.628 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000538967305 1007257720 /nfs/dbraw/zinc/25/77/20/1007257720.db2.gz DPVHQGNRXRJCSL-UHFFFAOYSA-N 1 3 401.624 3.747 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000538967305 1007257731 /nfs/dbraw/zinc/25/77/31/1007257731.db2.gz DPVHQGNRXRJCSL-UHFFFAOYSA-N 1 3 401.624 3.747 20 0 HHADHO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000539031880 1007328491 /nfs/dbraw/zinc/32/84/91/1007328491.db2.gz UHRXEJSVPSYTCG-NRFANRHFSA-N 1 3 420.601 3.757 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000535341894 1007395354 /nfs/dbraw/zinc/39/53/54/1007395354.db2.gz XMJFVLMSQSXGQZ-DNQXCXABSA-N 1 3 424.589 3.652 20 0 HHADHO COC(=O)c1oc([C@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000539250042 1007542148 /nfs/dbraw/zinc/54/21/48/1007542148.db2.gz UWVPWCVDKZUYBT-SFHVURJKSA-N 1 3 405.583 3.564 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000539306581 1007604604 /nfs/dbraw/zinc/60/46/04/1007604604.db2.gz KFOXAGLZDFNUHO-HNAYVOBHSA-N 1 3 412.441 3.849 20 0 HHADHO CCN(CC)c1ncc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000539823533 1008117313 /nfs/dbraw/zinc/11/73/13/1008117313.db2.gz KRRHEGPSFUQITI-UHFFFAOYSA-N 1 3 407.672 3.617 20 0 HHADHO CN(C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000533808559 1008127098 /nfs/dbraw/zinc/12/70/98/1008127098.db2.gz BBXZQSBQODFDGG-DEOSSOPVSA-N 1 3 408.590 3.645 20 0 HHADHO C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000539886765 1008162585 /nfs/dbraw/zinc/16/25/85/1008162585.db2.gz OCBQCVVSOHCIIJ-CZAAIQMYSA-N 1 3 406.412 3.784 20 0 HHADHO C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000539886765 1008162590 /nfs/dbraw/zinc/16/25/90/1008162590.db2.gz OCBQCVVSOHCIIJ-CZAAIQMYSA-N 1 3 406.412 3.784 20 0 HHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2cccc(Cn3cccn3)c2)CC1 ZINC000539951449 1008202312 /nfs/dbraw/zinc/20/23/12/1008202312.db2.gz PHDVVVIPOWKAEO-UHFFFAOYSA-N 1 3 409.965 3.626 20 0 HHADHO CC[N@H+](CCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC(C)C ZINC000540197064 1008332248 /nfs/dbraw/zinc/33/22/48/1008332248.db2.gz CTJSYSLQGDYKIP-UHFFFAOYSA-N 1 3 404.986 3.928 20 0 HHADHO CC[N@@H+](CCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)CC(C)C ZINC000540197064 1008332251 /nfs/dbraw/zinc/33/22/51/1008332251.db2.gz CTJSYSLQGDYKIP-UHFFFAOYSA-N 1 3 404.986 3.928 20 0 HHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000540334524 1008385417 /nfs/dbraw/zinc/38/54/17/1008385417.db2.gz OBCOXBUNBNNKOV-UHFFFAOYSA-N 1 3 416.997 3.772 20 0 HHADHO COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000540494139 1008454189 /nfs/dbraw/zinc/45/41/89/1008454189.db2.gz QAFLKYLYLNLBDV-TZIWHRDSSA-N 1 3 407.558 3.852 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000543190679 1008763543 /nfs/dbraw/zinc/76/35/43/1008763543.db2.gz UYSSWIRDEBVDFZ-RSXGOPAZSA-N 1 3 421.585 3.826 20 0 HHADHO C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460034 1009044151 /nfs/dbraw/zinc/04/41/51/1009044151.db2.gz GHVSZNLYWPTAIO-DAYGRLMNSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460034 1009044167 /nfs/dbraw/zinc/04/41/67/1009044167.db2.gz GHVSZNLYWPTAIO-DAYGRLMNSA-N 1 3 401.378 3.976 20 0 HHADHO COC(=O)CCC[NH+]1CCC(NCc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000546619963 1009631951 /nfs/dbraw/zinc/63/19/51/1009631951.db2.gz OECCOEPIALSUTK-UHFFFAOYSA-N 1 3 401.482 3.520 20 0 HHADHO Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000546933997 1009893259 /nfs/dbraw/zinc/89/32/59/1009893259.db2.gz IDURLTIMNVCQKD-WOJBJXKFSA-N 1 3 417.619 3.945 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)N(C)C)cc1 ZINC000521016934 1010053148 /nfs/dbraw/zinc/05/31/48/1010053148.db2.gz IHDRHXKTUDUAQJ-JOCHJYFZSA-N 1 3 418.532 3.649 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000521060840 1010081178 /nfs/dbraw/zinc/08/11/78/1010081178.db2.gz HRCOTDBOSLWJSP-HXUWFJFHSA-N 1 3 418.582 3.798 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000521061855 1010081742 /nfs/dbraw/zinc/08/17/42/1010081742.db2.gz PLGKTRLSGNPFIN-UHFFFAOYSA-N 1 3 410.553 3.693 20 0 HHADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@H](n2cncn2)C1 ZINC000550882966 1010240206 /nfs/dbraw/zinc/24/02/06/1010240206.db2.gz UHAZVIASYNNCIX-CAUSLRQDSA-N 1 3 423.605 3.526 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092687 1010361096 /nfs/dbraw/zinc/36/10/96/1010361096.db2.gz ACYALJMOCGXOQB-UGKGYDQZSA-N 1 3 404.558 3.530 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551092687 1010361107 /nfs/dbraw/zinc/36/11/07/1010361107.db2.gz ACYALJMOCGXOQB-UGKGYDQZSA-N 1 3 404.558 3.530 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000521685867 1010549607 /nfs/dbraw/zinc/54/96/07/1010549607.db2.gz FQTNAVJWYONOOP-UHFFFAOYSA-N 1 3 410.553 3.693 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000521685867 1010549618 /nfs/dbraw/zinc/54/96/18/1010549618.db2.gz FQTNAVJWYONOOP-UHFFFAOYSA-N 1 3 410.553 3.693 20 0 HHADHO C[N@H+](CCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000548719963 1010714087 /nfs/dbraw/zinc/71/40/87/1010714087.db2.gz PMDJUTMNWMOPLW-QFIPXVFZSA-N 1 3 409.578 3.923 20 0 HHADHO C[N@@H+](CCC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000548719963 1010714093 /nfs/dbraw/zinc/71/40/93/1010714093.db2.gz PMDJUTMNWMOPLW-QFIPXVFZSA-N 1 3 409.578 3.923 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000522051394 1010781101 /nfs/dbraw/zinc/78/11/01/1010781101.db2.gz UNFBBKIVCACHQK-VWLOTQADSA-N 1 3 420.601 3.542 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829281 1011265261 /nfs/dbraw/zinc/26/52/61/1011265261.db2.gz HGJLRLRKLZNVCW-PXDATVDWSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829281 1011265271 /nfs/dbraw/zinc/26/52/71/1011265271.db2.gz HGJLRLRKLZNVCW-PXDATVDWSA-N 1 3 420.601 3.842 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000541215350 1011886503 /nfs/dbraw/zinc/88/65/03/1011886503.db2.gz WVQANJYJJVHKQM-QGZVFWFLSA-N 1 3 403.567 3.665 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000536724882 1011895760 /nfs/dbraw/zinc/89/57/60/1011895760.db2.gz UZDJYQXEPAYRCV-QHCPKHFHSA-N 1 3 410.537 3.955 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536839689 1012069335 /nfs/dbraw/zinc/06/93/35/1012069335.db2.gz OGNDYRZBONWNCD-JFJYTDJESA-N 1 3 415.965 3.903 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1I ZINC000536855974 1012088447 /nfs/dbraw/zinc/08/84/47/1012088447.db2.gz DAAWMXWAPNAVGM-XHSDSOJGSA-N 1 3 416.347 3.831 20 0 HHADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000536874038 1012116154 /nfs/dbraw/zinc/11/61/54/1012116154.db2.gz BQZNZRKZZWOVPY-QGZVFWFLSA-N 1 3 419.591 3.672 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H](C)C1 ZINC000536876586 1012121078 /nfs/dbraw/zinc/12/10/78/1012121078.db2.gz OJVMHXZGABHPLC-REWPJTCUSA-N 1 3 401.595 3.539 20 0 HHADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000552275170 1012289152 /nfs/dbraw/zinc/28/91/52/1012289152.db2.gz NBEJUNJHHFQMIJ-SFHVURJKSA-N 1 3 415.528 3.901 20 0 HHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000537000789 1012302338 /nfs/dbraw/zinc/30/23/38/1012302338.db2.gz SBDPHEUNTPYQNO-INIZCTEOSA-N 1 3 421.994 3.550 20 0 HHADHO CN1CC[NH+](CC2(C)CCN(CCCc3ccccc3Br)CC2)CC1 ZINC000541664276 1012493560 /nfs/dbraw/zinc/49/35/60/1012493560.db2.gz FMPIWBMOVAMDPF-UHFFFAOYSA-N 1 3 408.428 3.731 20 0 HHADHO CN1CC[NH+](CC2(C)CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000541665815 1012494367 /nfs/dbraw/zinc/49/43/67/1012494367.db2.gz IHTYVSRTWAMYDX-UHFFFAOYSA-N 1 3 402.970 3.845 20 0 HHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523832690 1012520253 /nfs/dbraw/zinc/52/02/53/1012520253.db2.gz IAJZQBDTLXXEIE-NZQKXSOJSA-N 1 3 406.574 3.635 20 0 HHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745290 1012603041 /nfs/dbraw/zinc/60/30/41/1012603041.db2.gz YNKREKLRMWCZKL-XZOQPEGZSA-N 1 3 400.588 3.931 20 0 HHADHO Cc1c(C)c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000552610784 1012613429 /nfs/dbraw/zinc/61/34/29/1012613429.db2.gz YEMBHEVRYDUFNX-USTZCAOPSA-N 1 3 414.594 3.926 20 0 HHADHO Cc1c(C)c(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000552610784 1012613440 /nfs/dbraw/zinc/61/34/40/1012613440.db2.gz YEMBHEVRYDUFNX-USTZCAOPSA-N 1 3 414.594 3.926 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915890 1012772990 /nfs/dbraw/zinc/77/29/90/1012772990.db2.gz FCPHYROYVWQFFE-KOSHJBKYSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915890 1012773002 /nfs/dbraw/zinc/77/30/02/1012773002.db2.gz FCPHYROYVWQFFE-KOSHJBKYSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915889 1012773211 /nfs/dbraw/zinc/77/32/11/1012773211.db2.gz FCPHYROYVWQFFE-HOYKHHGWSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915889 1012773220 /nfs/dbraw/zinc/77/32/20/1012773220.db2.gz FCPHYROYVWQFFE-HOYKHHGWSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900008 1012901020 /nfs/dbraw/zinc/90/10/20/1012901020.db2.gz YBKVRDISSNJHFG-ZCNNSNEGSA-N 1 3 422.635 3.943 20 0 HHADHO CNC(=O)N[C@@H]1CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2cc(C)ccc21 ZINC001168379620 1072683741 /nfs/dbraw/zinc/68/37/41/1072683741.db2.gz MUWZYTQDJCJCJQ-HSZRJFAPSA-N 1 3 410.606 3.577 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594905 1072890022 /nfs/dbraw/zinc/89/00/22/1072890022.db2.gz DOJPFLMZKRCLCN-QPTUXGOLSA-N 1 3 407.558 3.991 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594905 1072890033 /nfs/dbraw/zinc/89/00/33/1072890033.db2.gz DOJPFLMZKRCLCN-QPTUXGOLSA-N 1 3 407.558 3.991 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657059 1073105155 /nfs/dbraw/zinc/10/51/55/1073105155.db2.gz SILXNGFYVFWMAH-SFTDATJTSA-N 1 3 415.622 3.880 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000588657059 1073105164 /nfs/dbraw/zinc/10/51/64/1073105164.db2.gz SILXNGFYVFWMAH-SFTDATJTSA-N 1 3 415.622 3.880 20 0 HHADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000555112903 1073167995 /nfs/dbraw/zinc/16/79/95/1073167995.db2.gz BICGWTKBWGJJEJ-QFIPXVFZSA-N 1 3 414.981 3.907 20 0 HHADHO Cc1cccc(C2(CNC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000588975992 1073367694 /nfs/dbraw/zinc/36/76/94/1073367694.db2.gz JTIYWRYVHXUUFL-UHFFFAOYSA-N 1 3 412.622 3.665 20 0 HHADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000591123973 1074139504 /nfs/dbraw/zinc/13/95/04/1074139504.db2.gz DYQMGGVPHNHUHB-UHFFFAOYSA-N 1 3 422.573 3.606 20 0 HHADHO CC(C)[NH+]1CCN(C2CCN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000761125023 1075498559 /nfs/dbraw/zinc/49/85/59/1075498559.db2.gz WHVYHRZMXKFTBP-HXUWFJFHSA-N 1 3 400.394 3.517 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)cc2)CC1 ZINC000303000329 971445769 /nfs/dbraw/zinc/44/57/69/971445769.db2.gz OCLCJESJAAAUAG-RUZDIDTESA-N 1 3 420.601 3.784 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)c(Br)c3)CC2)CC1 ZINC000553128641 1013089176 /nfs/dbraw/zinc/08/91/76/1013089176.db2.gz GHTKECONSXAGNP-UHFFFAOYSA-N 1 3 424.383 3.593 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000303189553 971550785 /nfs/dbraw/zinc/55/07/85/971550785.db2.gz ZVZCVMCAGRTEIN-QGZVFWFLSA-N 1 3 422.367 3.683 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](CC)CC)cc2)CC1 ZINC000303724926 971978517 /nfs/dbraw/zinc/97/85/17/971978517.db2.gz SMMJHYSFLHGNTF-DEOSSOPVSA-N 1 3 408.590 3.641 20 0 HHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccccc2Cn2cccn2)CC1 ZINC000537750611 1013314223 /nfs/dbraw/zinc/31/42/23/1013314223.db2.gz XUQQBUKOSKPRSD-UHFFFAOYSA-N 1 3 409.965 3.626 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC000537843423 1013405391 /nfs/dbraw/zinc/40/53/91/1013405391.db2.gz RHTBDDGLXPGAFF-UHFFFAOYSA-N 1 3 406.574 3.816 20 0 HHADHO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797785 964400014 /nfs/dbraw/zinc/40/00/14/964400014.db2.gz AVWJRWGTUHKPKY-LJQANCHMSA-N 1 3 401.595 3.561 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3coc4ccc5ccccc5c34)CC2)CC1 ZINC000050802773 964401749 /nfs/dbraw/zinc/40/17/49/964401749.db2.gz QHXUGYHDUSQZHC-UHFFFAOYSA-N 1 3 405.542 3.803 20 0 HHADHO CCc1ccc([C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759356 964689132 /nfs/dbraw/zinc/68/91/32/964689132.db2.gz YXUUDZZCOPVBTD-HSZRJFAPSA-N 1 3 400.611 3.804 20 0 HHADHO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761115 964690281 /nfs/dbraw/zinc/69/02/81/964690281.db2.gz SIHRUTJKUPYCPM-DNQXCXABSA-N 1 3 412.622 3.913 20 0 HHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000537969206 1013546861 /nfs/dbraw/zinc/54/68/61/1013546861.db2.gz PQXJGBRWYSDUGE-VQTJNVASSA-N 1 3 409.574 3.803 20 0 HHADHO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000054037565 965366527 /nfs/dbraw/zinc/36/65/27/965366527.db2.gz NYOMGEMIRMDLNA-RBUKOAKNSA-N 1 3 400.523 3.536 20 0 HHADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)Cc1ccco1 ZINC000553743453 1013583928 /nfs/dbraw/zinc/58/39/28/1013583928.db2.gz IZNXLABJYBHSAC-FQEVSTJZSA-N 1 3 401.526 3.611 20 0 HHADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)Cc1ccco1 ZINC000553743453 1013583931 /nfs/dbraw/zinc/58/39/31/1013583931.db2.gz IZNXLABJYBHSAC-FQEVSTJZSA-N 1 3 401.526 3.611 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000054718932 965621464 /nfs/dbraw/zinc/62/14/64/965621464.db2.gz UIPGEXGCRCZARZ-RDPSFJRHSA-N 1 3 406.574 3.917 20 0 HHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061159610 966384829 /nfs/dbraw/zinc/38/48/29/966384829.db2.gz FXEDVVIZQCZCNW-UHFFFAOYSA-N 1 3 402.627 3.657 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063148959 966761720 /nfs/dbraw/zinc/76/17/20/966761720.db2.gz UFSPHZMROIADIS-OYRHEFFESA-N 1 3 416.679 3.873 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063148959 966761727 /nfs/dbraw/zinc/76/17/27/966761727.db2.gz UFSPHZMROIADIS-OYRHEFFESA-N 1 3 416.679 3.873 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)N(C)C)cc1 ZINC000065469943 967482282 /nfs/dbraw/zinc/48/22/82/967482282.db2.gz RFMCLUMTICSSOL-DEOSSOPVSA-N 1 3 408.590 3.870 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000065549799 967514446 /nfs/dbraw/zinc/51/44/46/967514446.db2.gz JRHLZDNAEMGEPQ-KNQAVFIVSA-N 1 3 416.610 3.642 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000065549799 967514452 /nfs/dbraw/zinc/51/44/52/967514452.db2.gz JRHLZDNAEMGEPQ-KNQAVFIVSA-N 1 3 416.610 3.642 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)c(C)c2)CC1 ZINC000048055965 968401558 /nfs/dbraw/zinc/40/15/58/968401558.db2.gz WTKPLCFWOORQII-UHFFFAOYSA-N 1 3 415.626 3.721 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)c(C)c2)CC1 ZINC000048055965 968401565 /nfs/dbraw/zinc/40/15/65/968401565.db2.gz WTKPLCFWOORQII-UHFFFAOYSA-N 1 3 415.626 3.721 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000071923257 968889141 /nfs/dbraw/zinc/88/91/41/968889141.db2.gz NORWNGWKGLUMOS-AQNXPRMDSA-N 1 3 406.640 3.942 20 0 HHADHO CCN(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717091 /nfs/dbraw/zinc/71/70/91/969717091.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 1 3 409.574 3.605 20 0 HHADHO CCN(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717096 /nfs/dbraw/zinc/71/70/96/969717096.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717101 /nfs/dbraw/zinc/71/71/01/969717101.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000110745200 969717108 /nfs/dbraw/zinc/71/71/08/969717108.db2.gz GBWSOIHPADMFII-JXALWOEJSA-N 1 3 409.574 3.605 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000110991382 969755325 /nfs/dbraw/zinc/75/53/25/969755325.db2.gz KBIKHEQQTLYYAN-WOJBJXKFSA-N 1 3 409.574 3.990 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H](C)O1 ZINC000195719214 969979400 /nfs/dbraw/zinc/97/94/00/969979400.db2.gz BYFQYIGDUPYKSE-IAGOWNOFSA-N 1 3 421.383 3.614 20 0 HHADHO CCCCOc1ccc(OC)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000215981415 970058849 /nfs/dbraw/zinc/05/88/49/970058849.db2.gz WIQCDHLPWVJXHO-UHFFFAOYSA-N 1 3 418.582 3.554 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000215990252 970059558 /nfs/dbraw/zinc/05/95/58/970059558.db2.gz FOMJUJMPQYHNJH-UHFFFAOYSA-N 1 3 420.601 3.676 20 0 HHADHO c1c(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000236639331 970150205 /nfs/dbraw/zinc/15/02/05/970150205.db2.gz KSKUKHKDGLRDMY-HXUWFJFHSA-N 1 3 417.557 3.525 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000236849700 970180513 /nfs/dbraw/zinc/18/05/13/970180513.db2.gz FKCLIDOCQSFVEC-JOCHJYFZSA-N 1 3 417.601 3.963 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000236864375 970182456 /nfs/dbraw/zinc/18/24/56/970182456.db2.gz YSKUVTSFJWPLOP-YOEHRIQHSA-N 1 3 414.344 3.584 20 0 HHADHO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000237049226 970214313 /nfs/dbraw/zinc/21/43/13/970214313.db2.gz GNOLDFNZNBMIBD-UHFFFAOYSA-N 1 3 405.311 3.952 20 0 HHADHO C#CCOc1ccc(Br)cc1CNCc1ccc(F)c(C[NH+](C)C)c1 ZINC000237049226 970214321 /nfs/dbraw/zinc/21/43/21/970214321.db2.gz GNOLDFNZNBMIBD-UHFFFAOYSA-N 1 3 405.311 3.952 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145600878 970266342 /nfs/dbraw/zinc/26/63/42/970266342.db2.gz UFSPHZMROIADIS-SFTDATJTSA-N 1 3 416.679 3.873 20 0 HHADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000237932937 970398175 /nfs/dbraw/zinc/39/81/75/970398175.db2.gz FBYFNJUVYJOJMA-IBGZPJMESA-N 1 3 415.965 3.596 20 0 HHADHO CCN(C)[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000247964619 970493853 /nfs/dbraw/zinc/49/38/53/970493853.db2.gz GBWSOIHPADMFII-SKPFHBQLSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@H+](C)[C@H](C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000247964619 970493858 /nfs/dbraw/zinc/49/38/58/970493858.db2.gz GBWSOIHPADMFII-SKPFHBQLSA-N 1 3 409.574 3.605 20 0 HHADHO CC[N@@H+](C)[C@H](C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000247964619 970493866 /nfs/dbraw/zinc/49/38/66/970493866.db2.gz GBWSOIHPADMFII-SKPFHBQLSA-N 1 3 409.574 3.605 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000410310706 973852884 /nfs/dbraw/zinc/85/28/84/973852884.db2.gz OKHOZASHGFLEOY-UHFFFAOYSA-N 1 3 424.589 3.593 20 0 HHADHO Cc1cc2c(cc1C)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)CCS2 ZINC000427881331 975331458 /nfs/dbraw/zinc/33/14/58/975331458.db2.gz IDHHNLWNNNFVTC-VXKWHMMOSA-N 1 3 411.615 3.719 20 0 HHADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000428233812 975552923 /nfs/dbraw/zinc/55/29/23/975552923.db2.gz USPILPOFVBLRPK-DSNGMDLFSA-N 1 3 405.586 3.869 20 0 HHADHO C[C@H]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283288 975597011 /nfs/dbraw/zinc/59/70/11/975597011.db2.gz STSFIJPWELSIQK-SQJMNOBHSA-N 1 3 420.601 3.787 20 0 HHADHO C[C@H]1C[C@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283288 975597015 /nfs/dbraw/zinc/59/70/15/975597015.db2.gz STSFIJPWELSIQK-SQJMNOBHSA-N 1 3 420.601 3.787 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000428683708 975975224 /nfs/dbraw/zinc/97/52/24/975975224.db2.gz GDGGXTLBUUTXHH-QDSKXPNFSA-N 1 3 408.590 3.950 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000428683708 975975231 /nfs/dbraw/zinc/97/52/31/975975231.db2.gz GDGGXTLBUUTXHH-QDSKXPNFSA-N 1 3 408.590 3.950 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000428683707 975975364 /nfs/dbraw/zinc/97/53/64/975975364.db2.gz GDGGXTLBUUTXHH-OYDLWJJNSA-N 1 3 408.590 3.950 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000428683707 975975370 /nfs/dbraw/zinc/97/53/70/975975370.db2.gz GDGGXTLBUUTXHH-OYDLWJJNSA-N 1 3 408.590 3.950 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068006 976354031 /nfs/dbraw/zinc/35/40/31/976354031.db2.gz BHTAPUNCWHYUDQ-NMMYMHLASA-N 1 3 421.589 3.742 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068006 976354043 /nfs/dbraw/zinc/35/40/43/976354043.db2.gz BHTAPUNCWHYUDQ-NMMYMHLASA-N 1 3 421.589 3.742 20 0 HHADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1cccc(Br)c1 ZINC000429435322 976714528 /nfs/dbraw/zinc/71/45/28/976714528.db2.gz UCWQTZQAALOFLD-GOSISDBHSA-N 1 3 409.412 3.987 20 0 HHADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccc(Br)cc1 ZINC000429441582 976719856 /nfs/dbraw/zinc/71/98/56/976719856.db2.gz DJZOBTQWIKNZJH-SFHVURJKSA-N 1 3 409.412 3.987 20 0 HHADHO OC[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1ccc(Br)cc1 ZINC000429441580 976720348 /nfs/dbraw/zinc/72/03/48/976720348.db2.gz DJZOBTQWIKNZJH-GOSISDBHSA-N 1 3 409.412 3.987 20 0 HHADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429498013 976755465 /nfs/dbraw/zinc/75/54/65/976755465.db2.gz ZCZIAAIBQLQDRO-JOCHJYFZSA-N 1 3 400.611 3.631 20 0 HHADHO C[N@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000429686412 976980238 /nfs/dbraw/zinc/98/02/38/976980238.db2.gz ZHEDDDBKLKTPLN-SANMLTNESA-N 1 3 407.602 3.874 20 0 HHADHO C[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000429686412 976980245 /nfs/dbraw/zinc/98/02/45/976980245.db2.gz ZHEDDDBKLKTPLN-SANMLTNESA-N 1 3 407.602 3.874 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824597 977779874 /nfs/dbraw/zinc/77/98/74/977779874.db2.gz XFBDQFKSFJTGED-PTUXOGIPSA-N 1 3 400.538 3.688 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824597 977779883 /nfs/dbraw/zinc/77/98/83/977779883.db2.gz XFBDQFKSFJTGED-PTUXOGIPSA-N 1 3 400.538 3.688 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688901 978436825 /nfs/dbraw/zinc/43/68/25/978436825.db2.gz FRATYHAYORYRJH-AGILITTLSA-N 1 3 406.574 3.613 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688901 978436828 /nfs/dbraw/zinc/43/68/28/978436828.db2.gz FRATYHAYORYRJH-AGILITTLSA-N 1 3 406.574 3.613 20 0 HHADHO Cc1nc(-c2ccccc2NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000433785630 979571634 /nfs/dbraw/zinc/57/16/34/979571634.db2.gz SQQZVTWOTHVCDD-UHFFFAOYSA-N 1 3 413.591 3.799 20 0 HHADHO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(CN(C)C)c1 ZINC000434357647 980113081 /nfs/dbraw/zinc/11/30/81/980113081.db2.gz CCPFLPYXDMVKDE-QHCPKHFHSA-N 1 3 417.557 3.952 20 0 HHADHO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(CN(C)C)c1 ZINC000434357647 980113082 /nfs/dbraw/zinc/11/30/82/980113082.db2.gz CCPFLPYXDMVKDE-QHCPKHFHSA-N 1 3 417.557 3.952 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448460552 981794028 /nfs/dbraw/zinc/79/40/28/981794028.db2.gz CTSVCKMCWCSVPX-AABGKKOBSA-N 1 3 406.640 3.893 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448460552 981794032 /nfs/dbraw/zinc/79/40/32/981794032.db2.gz CTSVCKMCWCSVPX-AABGKKOBSA-N 1 3 406.640 3.893 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466218 981801114 /nfs/dbraw/zinc/80/11/14/981801114.db2.gz LRIOBSGGHHHGJM-JRFVFWCSSA-N 1 3 410.606 3.790 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)N2CCCC2)cc1 ZINC000448466218 981801127 /nfs/dbraw/zinc/80/11/27/981801127.db2.gz LRIOBSGGHHHGJM-JRFVFWCSSA-N 1 3 410.606 3.790 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469706 981808984 /nfs/dbraw/zinc/80/89/84/981808984.db2.gz AZOGSFQUXOJYAV-GGAORHGYSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469706 981808993 /nfs/dbraw/zinc/80/89/93/981808993.db2.gz AZOGSFQUXOJYAV-GGAORHGYSA-N 1 3 400.611 3.660 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)(N2CCCCC2)CC1 ZINC000460504598 982293499 /nfs/dbraw/zinc/29/34/99/982293499.db2.gz QATLEWHUTDGZLC-MOPGFXCFSA-N 1 3 423.523 3.875 20 0 HHADHO C[C@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000437741502 982331044 /nfs/dbraw/zinc/33/10/44/982331044.db2.gz BVUIMTHAVKQMFE-FQEVSTJZSA-N 1 3 410.562 3.755 20 0 HHADHO C[NH+]1CCC(CNC(=O)c2cc(C3CC3)nc3ccccc32)(N2CCCCC2)CC1 ZINC000461298999 982998949 /nfs/dbraw/zinc/99/89/49/982998949.db2.gz VDIPXPZQOFRPRZ-UHFFFAOYSA-N 1 3 406.574 3.792 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433718 983096885 /nfs/dbraw/zinc/09/68/85/983096885.db2.gz WSZVCXHZQRLTCJ-GVAUOCQISA-N 1 3 403.570 3.632 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433718 983096891 /nfs/dbraw/zinc/09/68/91/983096891.db2.gz WSZVCXHZQRLTCJ-GVAUOCQISA-N 1 3 403.570 3.632 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842786 983110492 /nfs/dbraw/zinc/11/04/92/983110492.db2.gz SVJDIPHVPHNQKO-GBXCKJPGSA-N 1 3 421.589 3.571 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842786 983110494 /nfs/dbraw/zinc/11/04/94/983110494.db2.gz SVJDIPHVPHNQKO-GBXCKJPGSA-N 1 3 421.589 3.571 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974873 983189424 /nfs/dbraw/zinc/18/94/24/983189424.db2.gz PQHPOOUCGKVHHK-GBXCKJPGSA-N 1 3 423.605 3.989 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000439728753 983517013 /nfs/dbraw/zinc/51/70/13/983517013.db2.gz DSSQHFZCPCROJN-HXUWFJFHSA-N 1 3 406.574 3.635 20 0 HHADHO CN1CCN(CCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1(C)C ZINC000441254070 984140923 /nfs/dbraw/zinc/14/09/23/984140923.db2.gz MDMJBJAQZUZCHT-UHFFFAOYSA-N 1 3 415.626 3.599 20 0 HHADHO CN1CCN(CCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1(C)C ZINC000441254070 984140926 /nfs/dbraw/zinc/14/09/26/984140926.db2.gz MDMJBJAQZUZCHT-UHFFFAOYSA-N 1 3 415.626 3.599 20 0 HHADHO COCCN1CCC([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114859 985085268 /nfs/dbraw/zinc/08/52/68/985085268.db2.gz YJTDARXPPBEYCY-RXVVDRJESA-N 1 3 413.528 3.789 20 0 HHADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccc(Br)cc1OCCCO ZINC000462966286 985911928 /nfs/dbraw/zinc/91/19/28/985911928.db2.gz NIANAZASCHCMLM-WQANXHIZSA-N 1 3 411.384 3.734 20 0 HHADHO COc1ccc([C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)N(C)C)cc1OC ZINC000463128927 986093834 /nfs/dbraw/zinc/09/38/34/986093834.db2.gz AKMJJPYQFZASHF-QHCPKHFHSA-N 1 3 411.590 3.603 20 0 HHADHO COc1ccc([C@H](CNC2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1OC ZINC000463128927 986093847 /nfs/dbraw/zinc/09/38/47/986093847.db2.gz AKMJJPYQFZASHF-QHCPKHFHSA-N 1 3 411.590 3.603 20 0 HHADHO COc1c(Cl)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000444830872 986988633 /nfs/dbraw/zinc/98/86/33/986988633.db2.gz WLUFETUGDFQVLT-UHFFFAOYSA-N 1 3 415.365 3.682 20 0 HHADHO CCc1cc(Br)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000444870677 987025152 /nfs/dbraw/zinc/02/51/52/987025152.db2.gz FXMAWZGIPMTDKR-UHFFFAOYSA-N 1 3 423.399 3.692 20 0 HHADHO CC[C@@H](Cc1ccccc1)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000469765374 987417805 /nfs/dbraw/zinc/41/78/05/987417805.db2.gz TXTYLANQKUDNOY-QFIPXVFZSA-N 1 3 400.611 3.598 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000469785839 987431521 /nfs/dbraw/zinc/43/15/21/987431521.db2.gz FUYZYAXSDSUDNM-HOTGVXAUSA-N 1 3 405.995 3.764 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469789609 987434406 /nfs/dbraw/zinc/43/44/06/987434406.db2.gz ZDBMTYHEPHUHSG-XCJLJZCSSA-N 1 3 415.578 3.725 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000470283016 988240017 /nfs/dbraw/zinc/24/00/17/988240017.db2.gz LXIOYHOOCLMIMA-HSZRJFAPSA-N 1 3 400.611 3.660 20 0 HHADHO CC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000470721996 988747837 /nfs/dbraw/zinc/74/78/37/988747837.db2.gz FBBGGWJIURTQAL-GBXCKJPGSA-N 1 3 412.622 3.770 20 0 HHADHO CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470745801 988786069 /nfs/dbraw/zinc/78/60/69/988786069.db2.gz LZVLUUDHABLYKT-RUZDIDTESA-N 1 3 420.601 3.741 20 0 HHADHO CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470745801 988786083 /nfs/dbraw/zinc/78/60/83/988786083.db2.gz LZVLUUDHABLYKT-RUZDIDTESA-N 1 3 420.601 3.741 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747942 988788788 /nfs/dbraw/zinc/78/87/88/988788788.db2.gz UKQXWDFRKSKVLV-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747942 988788795 /nfs/dbraw/zinc/78/87/95/988788795.db2.gz UKQXWDFRKSKVLV-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755990 988797422 /nfs/dbraw/zinc/79/74/22/988797422.db2.gz NPLDVYFCJCDDQO-VQTJNVASSA-N 1 3 404.624 3.648 20 0 HHADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)cc1 ZINC000471001706 989068498 /nfs/dbraw/zinc/06/84/98/989068498.db2.gz RLRCDGSVOYYRMF-WMZHIEFXSA-N 1 3 424.589 3.583 20 0 HHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000465429444 989774268 /nfs/dbraw/zinc/77/42/68/989774268.db2.gz NSHROEFOTLANPM-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000465429444 989774269 /nfs/dbraw/zinc/77/42/69/989774269.db2.gz NSHROEFOTLANPM-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814221 990197431 /nfs/dbraw/zinc/19/74/31/990197431.db2.gz MCZJROCUIXGTTD-QPPBQGQZSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814221 990197432 /nfs/dbraw/zinc/19/74/32/990197432.db2.gz MCZJROCUIXGTTD-QPPBQGQZSA-N 1 3 408.590 3.904 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000467090803 992396119 /nfs/dbraw/zinc/39/61/19/992396119.db2.gz LZLJGIRPGDLEHN-UHFFFAOYSA-N 1 3 408.590 3.597 20 0 HHADHO C[C@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000467094230 992400078 /nfs/dbraw/zinc/40/00/78/992400078.db2.gz ITIDTRSNSWLWKX-NRFANRHFSA-N 1 3 408.590 3.597 20 0 HHADHO Ic1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000480759850 993625201 /nfs/dbraw/zinc/62/52/01/993625201.db2.gz PSSWREHEYICWLZ-GUYCJALGSA-N 1 3 412.315 3.579 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnccn1 ZINC000480783310 993650761 /nfs/dbraw/zinc/65/07/61/993650761.db2.gz ZNLOZNGYPOJLPB-KRWDZBQOSA-N 1 3 407.484 3.748 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000480906307 993762321 /nfs/dbraw/zinc/76/23/21/993762321.db2.gz YBNJLUXNPURBMN-HXUWFJFHSA-N 1 3 423.605 3.815 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000481308381 994125254 /nfs/dbraw/zinc/12/52/54/994125254.db2.gz LFMCLVYNIIQFMT-OFVILXPXSA-N 1 3 422.617 3.871 20 0 HHADHO C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539118 994370894 /nfs/dbraw/zinc/37/08/94/994370894.db2.gz YESLOLNDKQKKNC-FDDCHVKYSA-N 1 3 411.546 3.595 20 0 HHADHO C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559366 994393410 /nfs/dbraw/zinc/39/34/10/994393410.db2.gz FQEZTGXWFXHUOX-MBSDFSHPSA-N 1 3 411.546 3.595 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000481714763 994575840 /nfs/dbraw/zinc/57/58/40/994575840.db2.gz HEAKCMWMHAMRKZ-IBGZPJMESA-N 1 3 415.603 3.822 20 0 HHADHO O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000481818300 994668504 /nfs/dbraw/zinc/66/85/04/994668504.db2.gz VHWUOVYPAXYVRF-VWLOTQADSA-N 1 3 418.585 3.735 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)CC1 ZINC000473836035 994769782 /nfs/dbraw/zinc/76/97/82/994769782.db2.gz LJRRBSKXWCCCGD-XMMPIXPASA-N 1 3 421.589 3.787 20 0 HHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000481974552 994868090 /nfs/dbraw/zinc/86/80/90/994868090.db2.gz OYWNSXMRHJOWJH-GOSISDBHSA-N 1 3 419.591 3.673 20 0 HHADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-c2ccncc2)cc1 ZINC000482241522 995223974 /nfs/dbraw/zinc/22/39/74/995223974.db2.gz KQQBGKYPNYCYCB-IBGZPJMESA-N 1 3 402.542 3.891 20 0 HHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000474510099 995471897 /nfs/dbraw/zinc/47/18/97/995471897.db2.gz KDKBNOHUZMFZAR-WOJBJXKFSA-N 1 3 400.611 3.659 20 0 HHADHO CCO[C@@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000482513888 995524439 /nfs/dbraw/zinc/52/44/39/995524439.db2.gz UEHAREJSJPGEHM-DMDYGQEQSA-N 1 3 423.601 3.932 20 0 HHADHO Clc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c(-n2cncn2)c1 ZINC000474715694 995654149 /nfs/dbraw/zinc/65/41/49/995654149.db2.gz RRGBZNXXNOKOJD-UHFFFAOYSA-N 1 3 411.937 3.685 20 0 HHADHO CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475130710 995941714 /nfs/dbraw/zinc/94/17/14/995941714.db2.gz QPDSBHJPKBVCEM-ZEQRLZLVSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000475139454 995948000 /nfs/dbraw/zinc/94/80/00/995948000.db2.gz NMANSPRQQCMTHE-YADARESESA-N 1 3 402.542 3.818 20 0 HHADHO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475177218 995974365 /nfs/dbraw/zinc/97/43/65/995974365.db2.gz YMTDGDNHKNUKMY-HSZRJFAPSA-N 1 3 400.611 3.805 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200699 996034122 /nfs/dbraw/zinc/03/41/22/996034122.db2.gz OKFUGQOJNWMAQP-OTWHNJEPSA-N 1 3 411.537 3.593 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200699 996034129 /nfs/dbraw/zinc/03/41/29/996034129.db2.gz OKFUGQOJNWMAQP-OTWHNJEPSA-N 1 3 411.537 3.593 20 0 HHADHO CCCN1CCC([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475567353 996222691 /nfs/dbraw/zinc/22/26/91/996222691.db2.gz WPXZBUKIBIHHDL-UHFFFAOYSA-N 1 3 410.400 3.592 20 0 HHADHO CCCN1CCC([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000475567353 996222695 /nfs/dbraw/zinc/22/26/95/996222695.db2.gz WPXZBUKIBIHHDL-UHFFFAOYSA-N 1 3 410.400 3.592 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N2CCCC2)cc1 ZINC000483517211 996228309 /nfs/dbraw/zinc/22/83/09/996228309.db2.gz DRTYDHHXNRMKCN-QHCPKHFHSA-N 1 3 414.594 3.538 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N2CCCC2)c1 ZINC000483706198 996339316 /nfs/dbraw/zinc/33/93/16/996339316.db2.gz BNTNJYYVHIHDDK-HSZRJFAPSA-N 1 3 414.594 3.538 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C[C@@H]1C ZINC000483706351 996339925 /nfs/dbraw/zinc/33/99/25/996339925.db2.gz FEABBWONJQLFEO-ACIOBRDBSA-N 1 3 400.611 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C[C@@H]1C ZINC000483706351 996339928 /nfs/dbraw/zinc/33/99/28/996339928.db2.gz FEABBWONJQLFEO-ACIOBRDBSA-N 1 3 400.611 3.974 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C[C@H]1C ZINC000483706352 996340058 /nfs/dbraw/zinc/34/00/58/996340058.db2.gz FEABBWONJQLFEO-AKIFATBCSA-N 1 3 400.611 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C[C@H]1C ZINC000483706352 996340061 /nfs/dbraw/zinc/34/00/61/996340061.db2.gz FEABBWONJQLFEO-AKIFATBCSA-N 1 3 400.611 3.974 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000483738181 996358661 /nfs/dbraw/zinc/35/86/61/996358661.db2.gz AOKUQUYQLAAFKG-JOCHJYFZSA-N 1 3 402.558 3.621 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(N4CCCCCC4)c3)CC2)CC1 ZINC000483907369 996462331 /nfs/dbraw/zinc/46/23/31/996462331.db2.gz CNAHLAALFCQHSR-UHFFFAOYSA-N 1 3 413.610 3.747 20 0 HHADHO C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000476906095 997512117 /nfs/dbraw/zinc/51/21/17/997512117.db2.gz MFGDLEMMMPRDEE-GBXCKJPGSA-N 1 3 406.574 3.745 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260443 997653516 /nfs/dbraw/zinc/65/35/16/997653516.db2.gz NFRDPBKZVBAONJ-UGKGYDQZSA-N 1 3 412.578 3.920 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465663 997910471 /nfs/dbraw/zinc/91/04/71/997910471.db2.gz OGNVOYMDTLXLJE-VAMGGRTRSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465663 997910482 /nfs/dbraw/zinc/91/04/82/997910482.db2.gz OGNVOYMDTLXLJE-VAMGGRTRSA-N 1 3 404.624 3.647 20 0 HHADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1c2ccccc2-c2ccccc21 ZINC000477920382 998658419 /nfs/dbraw/zinc/65/84/19/998658419.db2.gz GFFOJUFDAQJSMX-UHFFFAOYSA-N 1 3 418.585 3.956 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315814 998709086 /nfs/dbraw/zinc/70/90/86/998709086.db2.gz CONNKDIUKVKFNT-GVXSCFBNSA-N 1 3 420.601 3.861 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315814 998709091 /nfs/dbraw/zinc/70/90/91/998709091.db2.gz CONNKDIUKVKFNT-GVXSCFBNSA-N 1 3 420.601 3.861 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000486757643 998926298 /nfs/dbraw/zinc/92/62/98/998926298.db2.gz BFBZYENVZQMOIT-GVAUOCQISA-N 1 3 424.633 3.913 20 0 HHADHO C[NH+]1CCC(CC(=O)Nc2cccc(N3CCN(CCc4ccccc4)CC3)c2)CC1 ZINC000486939481 999013148 /nfs/dbraw/zinc/01/31/48/999013148.db2.gz JYHMUABZYCTMLC-UHFFFAOYSA-N 1 3 420.601 3.722 20 0 HHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274471 999121030 /nfs/dbraw/zinc/12/10/30/999121030.db2.gz USNBFNCYDTUNQS-OALUTQOASA-N 1 3 408.468 3.563 20 0 HHADHO FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000487319682 999134308 /nfs/dbraw/zinc/13/43/08/999134308.db2.gz MPXGFDRXUSRQFK-HNNXBMFYSA-N 1 3 408.468 3.686 20 0 HHADHO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000478807659 999150457 /nfs/dbraw/zinc/15/04/57/999150457.db2.gz RIUSUGJVBNEGPB-RDPSFJRHSA-N 1 3 408.590 3.684 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000478840193 999170459 /nfs/dbraw/zinc/17/04/59/999170459.db2.gz PQGIUNSXOOIHFT-HSZRJFAPSA-N 1 3 412.578 3.638 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000478840193 999170465 /nfs/dbraw/zinc/17/04/65/999170465.db2.gz PQGIUNSXOOIHFT-HSZRJFAPSA-N 1 3 412.578 3.638 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000478900753 999201403 /nfs/dbraw/zinc/20/14/03/999201403.db2.gz STJUDRQTJFJHHC-QHCPKHFHSA-N 1 3 412.553 3.701 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000479063690 999276109 /nfs/dbraw/zinc/27/61/09/999276109.db2.gz PVNBFMFQHBYCHH-OALUTQOASA-N 1 3 403.592 3.512 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077180 999369090 /nfs/dbraw/zinc/36/90/90/999369090.db2.gz RYABQTAEUFILMW-ZFGGDYGUSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077180 999369092 /nfs/dbraw/zinc/36/90/92/999369092.db2.gz RYABQTAEUFILMW-ZFGGDYGUSA-N 1 3 408.590 3.717 20 0 HHADHO COc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000479321060 999383799 /nfs/dbraw/zinc/38/37/99/999383799.db2.gz QABAGXIRUVQXMJ-UHFFFAOYSA-N 1 3 416.610 3.566 20 0 HHADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368545 999407089 /nfs/dbraw/zinc/40/70/89/999407089.db2.gz ZIJWFUNUWLNQDI-CHWSQXEVSA-N 1 3 410.411 3.802 20 0 HHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438986 999417941 /nfs/dbraw/zinc/41/79/41/999417941.db2.gz PIHZHTWHBWSRBI-ZCYQVOJMSA-N 1 3 416.569 3.996 20 0 HHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438986 999417945 /nfs/dbraw/zinc/41/79/45/999417945.db2.gz PIHZHTWHBWSRBI-ZCYQVOJMSA-N 1 3 416.569 3.996 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCc4sc(Cl)cc43)CC2)CC1 ZINC000488516935 999514641 /nfs/dbraw/zinc/51/46/41/999514641.db2.gz QUNDWHPRDKZJPU-KRWDZBQOSA-N 1 3 411.015 3.637 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278574 999735650 /nfs/dbraw/zinc/73/56/50/999735650.db2.gz RSIUXSUAPYAVFP-DNQXCXABSA-N 1 3 424.589 3.743 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000489886334 999855169 /nfs/dbraw/zinc/85/51/69/999855169.db2.gz MCDUTECEBHVXCA-QHCPKHFHSA-N 1 3 400.611 3.803 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000480687021 999859487 /nfs/dbraw/zinc/85/94/87/999859487.db2.gz DACXWWXQUFROMJ-OAQYLSRUSA-N 1 3 403.574 3.861 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000490125459 999896628 /nfs/dbraw/zinc/89/66/28/999896628.db2.gz PNGDWALFDHGHLP-VWLOTQADSA-N 1 3 409.574 3.990 20 0 HHADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000490190710 999907947 /nfs/dbraw/zinc/90/79/47/999907947.db2.gz LJVRMMFUMOAZNG-JOCHJYFZSA-N 1 3 404.599 3.640 20 0 HHADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490952126 1000026611 /nfs/dbraw/zinc/02/66/11/1000026611.db2.gz QHGVYVZBISOJKS-OALUTQOASA-N 1 3 404.624 3.520 20 0 HHADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490952126 1000026614 /nfs/dbraw/zinc/02/66/14/1000026614.db2.gz QHGVYVZBISOJKS-OALUTQOASA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000492578703 1000133365 /nfs/dbraw/zinc/13/33/65/1000133365.db2.gz IEUVMCREKNTGDZ-ODGPQVTHSA-N 1 3 408.590 3.542 20 0 HHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000492578703 1000133372 /nfs/dbraw/zinc/13/33/72/1000133372.db2.gz IEUVMCREKNTGDZ-ODGPQVTHSA-N 1 3 408.590 3.542 20 0 HHADHO C[C@@H]1CN(CCSc2ccnc3cc(Cl)ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000492782496 1000143688 /nfs/dbraw/zinc/14/36/88/1000143688.db2.gz HIMSNXDTODOBJS-UTKZUKDTSA-N 1 3 419.038 3.938 20 0 HHADHO C[C@H]1CN(CCSc2ccnc3cc(Cl)ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000492782495 1000143718 /nfs/dbraw/zinc/14/37/18/1000143718.db2.gz HIMSNXDTODOBJS-LAUBAEHRSA-N 1 3 419.038 3.938 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000493038435 1000155191 /nfs/dbraw/zinc/15/51/91/1000155191.db2.gz VOILXECLKQOYQU-MHZLTWQESA-N 1 3 417.597 3.909 20 0 HHADHO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000505590075 1000923203 /nfs/dbraw/zinc/92/32/03/1000923203.db2.gz DLJUUNKUMXGIPP-WMZHIEFXSA-N 1 3 419.573 3.533 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000497433911 1001362575 /nfs/dbraw/zinc/36/25/75/1001362575.db2.gz DUYUTTOBSRNAEO-XMSQKQJNSA-N 1 3 412.578 3.727 20 0 HHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000497633220 1001466258 /nfs/dbraw/zinc/46/62/58/1001466258.db2.gz LNQRPVIESVROMO-MBSDFSHPSA-N 1 3 412.553 3.953 20 0 HHADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Oc1cccnc1 ZINC000497791147 1001515139 /nfs/dbraw/zinc/51/51/39/1001515139.db2.gz JQSICRLGNWJXCM-UHFFFAOYSA-N 1 3 423.561 3.862 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922911 1001595298 /nfs/dbraw/zinc/59/52/98/1001595298.db2.gz QTKZHQCAZLSBHJ-GMKZXUHWSA-N 1 3 412.622 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922911 1001595304 /nfs/dbraw/zinc/59/53/04/1001595304.db2.gz QTKZHQCAZLSBHJ-GMKZXUHWSA-N 1 3 412.622 3.947 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922914 1001595563 /nfs/dbraw/zinc/59/55/63/1001595563.db2.gz QTKZHQCAZLSBHJ-YFNKSVMNSA-N 1 3 412.622 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922914 1001595568 /nfs/dbraw/zinc/59/55/68/1001595568.db2.gz QTKZHQCAZLSBHJ-YFNKSVMNSA-N 1 3 412.622 3.947 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022098 1001609049 /nfs/dbraw/zinc/60/90/49/1001609049.db2.gz CVAUQBPTLKHQJK-SLYNCCJLSA-N 1 3 418.582 3.872 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022098 1001609053 /nfs/dbraw/zinc/60/90/53/1001609053.db2.gz CVAUQBPTLKHQJK-SLYNCCJLSA-N 1 3 418.582 3.872 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714416 1002097117 /nfs/dbraw/zinc/09/71/17/1002097117.db2.gz LGMVSNSZTXYGLX-CTNGQTDRSA-N 1 3 414.619 3.732 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714416 1002097128 /nfs/dbraw/zinc/09/71/28/1002097128.db2.gz LGMVSNSZTXYGLX-CTNGQTDRSA-N 1 3 414.619 3.732 20 0 HHADHO Cc1cccc(C)c1OCCN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498827483 1002212775 /nfs/dbraw/zinc/21/27/75/1002212775.db2.gz YPCFUCQJQXWYQX-QHCPKHFHSA-N 1 3 408.590 3.611 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893779 1002283535 /nfs/dbraw/zinc/28/35/35/1002283535.db2.gz JYEFFJSOMZDNSU-UCFCWBNQSA-N 1 3 424.589 3.650 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000498893779 1002283550 /nfs/dbraw/zinc/28/35/50/1002283550.db2.gz JYEFFJSOMZDNSU-UCFCWBNQSA-N 1 3 424.589 3.650 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000499138312 1002523235 /nfs/dbraw/zinc/52/32/35/1002523235.db2.gz DNEKXTNSPGJANG-IFMRQQRSSA-N 1 3 420.601 3.980 20 0 HHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149880 1002533640 /nfs/dbraw/zinc/53/36/40/1002533640.db2.gz VFSVZNIQSLTINP-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149880 1002533649 /nfs/dbraw/zinc/53/36/49/1002533649.db2.gz VFSVZNIQSLTINP-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(CN4CCOCC4)c2)C3)cc1 ZINC000499149880 1002533658 /nfs/dbraw/zinc/53/36/58/1002533658.db2.gz VFSVZNIQSLTINP-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693804 1003131699 /nfs/dbraw/zinc/13/16/99/1003131699.db2.gz BQCJMVUHQCBEKW-SQJMNOBHSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508693804 1003131712 /nfs/dbraw/zinc/13/17/12/1003131712.db2.gz BQCJMVUHQCBEKW-SQJMNOBHSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693804 1003131703 /nfs/dbraw/zinc/13/17/03/1003131703.db2.gz BQCJMVUHQCBEKW-SQJMNOBHSA-N 1 3 401.554 3.897 20 0 HHADHO Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722066 1003162649 /nfs/dbraw/zinc/16/26/49/1003162649.db2.gz WQANDVKOUVANGP-RCXJIHSJSA-N 1 3 407.602 3.869 20 0 HHADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000508786923 1003216227 /nfs/dbraw/zinc/21/62/27/1003216227.db2.gz YCIVTXCLFAVFBQ-OAQYLSRUSA-N 1 3 411.512 3.772 20 0 HHADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868862 1003289469 /nfs/dbraw/zinc/28/94/69/1003289469.db2.gz WHLUKCHCCLLDGP-MHHVOYGZSA-N 1 3 423.605 3.716 20 0 HHADHO C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000508880789 1003302729 /nfs/dbraw/zinc/30/27/29/1003302729.db2.gz MKQQQVAGRDDEKL-NFBKMPQASA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)N(C)C ZINC000508897643 1003328526 /nfs/dbraw/zinc/32/85/26/1003328526.db2.gz OHIDZQXMIVMMGF-BBVWWWHTSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)N(C)C ZINC000508897643 1003328453 /nfs/dbraw/zinc/32/84/53/1003328453.db2.gz OHIDZQXMIVMMGF-BBVWWWHTSA-N 1 3 420.601 3.985 20 0 HHADHO CC(C)Cn1ncc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1C(C)C ZINC000500030290 1003353927 /nfs/dbraw/zinc/35/39/27/1003353927.db2.gz PDFLZHXKOZKWKI-UHFFFAOYSA-N 1 3 418.630 3.734 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000500131823 1003491782 /nfs/dbraw/zinc/49/17/82/1003491782.db2.gz NMGQWZQTCAOZJR-YCRNBWNJSA-N 1 3 409.578 3.598 20 0 HHADHO CCCN(C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000509021526 1003494027 /nfs/dbraw/zinc/49/40/27/1003494027.db2.gz IEFJVGHUIUZQMA-OAQYLSRUSA-N 1 3 407.002 3.993 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000500808491 1003970288 /nfs/dbraw/zinc/97/02/88/1003970288.db2.gz RLWDXDSPLCPQKA-DEOSSOPVSA-N 1 3 421.589 3.777 20 0 HHADHO CC(C)[NH+]1CCN(CCCN(Cc2csc(Br)c2)C2CC2)CC1 ZINC000501020776 1004122947 /nfs/dbraw/zinc/12/29/47/1004122947.db2.gz FXPCRMQDMDNDTC-UHFFFAOYSA-N 1 3 400.430 3.891 20 0 HHADHO COc1ccc([C@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501046742 1004148390 /nfs/dbraw/zinc/14/83/90/1004148390.db2.gz MSWKJMYMGNWYEB-RUZDIDTESA-N 1 3 422.573 3.506 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000501086025 1004191167 /nfs/dbraw/zinc/19/11/67/1004191167.db2.gz UWKKSWLUTBNBAF-NZQKXSOJSA-N 1 3 421.589 3.602 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413264 1004280840 /nfs/dbraw/zinc/28/08/40/1004280840.db2.gz USADKKCDAVUDDX-IRLDBZIGSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413264 1004280848 /nfs/dbraw/zinc/28/08/48/1004280848.db2.gz USADKKCDAVUDDX-IRLDBZIGSA-N 1 3 412.578 3.654 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)N2CCCC2)cc1 ZINC000501325938 1004350276 /nfs/dbraw/zinc/35/02/76/1004350276.db2.gz HCQOSFZWWUGVBU-GOTSBHOMSA-N 1 3 416.610 3.642 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000512616825 1004429498 /nfs/dbraw/zinc/42/94/98/1004429498.db2.gz CTTFNOWIHKLAHM-XDZVQPMWSA-N 1 3 417.597 3.925 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000512616822 1004429525 /nfs/dbraw/zinc/42/95/25/1004429525.db2.gz CTTFNOWIHKLAHM-KEVKATSASA-N 1 3 417.597 3.925 20 0 HHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622779 1004436289 /nfs/dbraw/zinc/43/62/89/1004436289.db2.gz CCGPEGZDGYFEKD-GMQQYTKMSA-N 1 3 419.613 3.909 20 0 HHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCc4ccccc4CN4CCOCC4)[C@H]3C2)cc1 ZINC000512622779 1004436294 /nfs/dbraw/zinc/43/62/94/1004436294.db2.gz CCGPEGZDGYFEKD-GMQQYTKMSA-N 1 3 419.613 3.909 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632351 1004444498 /nfs/dbraw/zinc/44/44/98/1004444498.db2.gz ZKYVQZCEJDHNRV-ZKMPZPQNSA-N 1 3 421.585 3.592 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512632351 1004444506 /nfs/dbraw/zinc/44/45/06/1004444506.db2.gz ZKYVQZCEJDHNRV-ZKMPZPQNSA-N 1 3 421.585 3.592 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710944 1004509970 /nfs/dbraw/zinc/50/99/70/1004509970.db2.gz CLEZMDAWXODRKZ-RBBKRZOGSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710944 1004509977 /nfs/dbraw/zinc/50/99/77/1004509977.db2.gz CLEZMDAWXODRKZ-RBBKRZOGSA-N 1 3 412.622 3.945 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@@H](COC(F)F)C3)c2)C1 ZINC000512831309 1004589552 /nfs/dbraw/zinc/58/95/52/1004589552.db2.gz BXSXFZAZCTUVHN-QZTJIDSGSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@@H](COC(F)F)C3)c2)C1 ZINC000512831309 1004589557 /nfs/dbraw/zinc/58/95/57/1004589557.db2.gz BXSXFZAZCTUVHN-QZTJIDSGSA-N 1 3 404.448 3.809 20 0 HHADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488130 1004606914 /nfs/dbraw/zinc/60/69/14/1004606914.db2.gz GLHRRUZZLIPRSG-TZIWHRDSSA-N 1 3 412.622 3.776 20 0 HHADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488130 1004606918 /nfs/dbraw/zinc/60/69/18/1004606918.db2.gz GLHRRUZZLIPRSG-TZIWHRDSSA-N 1 3 412.622 3.776 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000512902217 1004671016 /nfs/dbraw/zinc/67/10/16/1004671016.db2.gz MXZGZKNUZURFDL-HSZRJFAPSA-N 1 3 416.610 3.736 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000512902217 1004671024 /nfs/dbraw/zinc/67/10/24/1004671024.db2.gz MXZGZKNUZURFDL-HSZRJFAPSA-N 1 3 416.610 3.736 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000510788743 1004852750 /nfs/dbraw/zinc/85/27/50/1004852750.db2.gz UNGCMBRTFPAVKP-UHFFFAOYSA-N 1 3 408.502 3.637 20 0 HHADHO CC(C)(C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000513206199 1004860247 /nfs/dbraw/zinc/86/02/47/1004860247.db2.gz UYIMYGXJVGFSMP-UHFFFAOYSA-N 1 3 422.013 3.858 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950805 1004950071 /nfs/dbraw/zinc/95/00/71/1004950071.db2.gz NCUVUSMVGJWQSM-FPOVZHCZSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950805 1004950077 /nfs/dbraw/zinc/95/00/77/1004950077.db2.gz NCUVUSMVGJWQSM-FPOVZHCZSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950804 1004950253 /nfs/dbraw/zinc/95/02/53/1004950253.db2.gz NCUVUSMVGJWQSM-CTNGQTDRSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3ccc(Br)cc32)C1 ZINC000510950804 1004950260 /nfs/dbraw/zinc/95/02/60/1004950260.db2.gz NCUVUSMVGJWQSM-CTNGQTDRSA-N 1 3 401.348 3.793 20 0 HHADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000513572465 1005030098 /nfs/dbraw/zinc/03/00/98/1005030098.db2.gz MDDNXWZRGUAABO-BRWVUGGUSA-N 1 3 419.919 3.968 20 0 HHADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000513572465 1005030104 /nfs/dbraw/zinc/03/01/04/1005030104.db2.gz MDDNXWZRGUAABO-BRWVUGGUSA-N 1 3 419.919 3.968 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511250503 1005091401 /nfs/dbraw/zinc/09/14/01/1005091401.db2.gz NKQJUYCEBXQKRL-RBBKRZOGSA-N 1 3 400.611 3.721 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000511250503 1005091405 /nfs/dbraw/zinc/09/14/05/1005091405.db2.gz NKQJUYCEBXQKRL-RBBKRZOGSA-N 1 3 400.611 3.721 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252660 1005092557 /nfs/dbraw/zinc/09/25/57/1005092557.db2.gz YKKNWQLILJADMG-RBUKOAKNSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252660 1005092562 /nfs/dbraw/zinc/09/25/62/1005092562.db2.gz YKKNWQLILJADMG-RBUKOAKNSA-N 1 3 404.574 3.552 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)NCCCN3CCc4ccccc4C3)CC2)CC1 ZINC000502672741 1005173238 /nfs/dbraw/zinc/17/32/38/1005173238.db2.gz VESWXQXNFQESQE-UHFFFAOYSA-N 1 3 412.622 3.777 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000502891972 1005261859 /nfs/dbraw/zinc/26/18/59/1005261859.db2.gz IETZKZVXUPMREF-PMACEKPBSA-N 1 3 404.599 3.644 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000511651523 1005262140 /nfs/dbraw/zinc/26/21/40/1005262140.db2.gz YRKSCTKYOVYWFZ-UHFFFAOYSA-N 1 3 415.500 3.501 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N2CCCC2)cc1 ZINC000514127120 1005278439 /nfs/dbraw/zinc/27/84/39/1005278439.db2.gz QKKUAKFCLVLGLA-HSZRJFAPSA-N 1 3 400.611 3.943 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)N(C)C)cc1 ZINC000503339508 1005393589 /nfs/dbraw/zinc/39/35/89/1005393589.db2.gz FZYRYYPIZFNEMY-GGAORHGYSA-N 1 3 400.611 3.751 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174517 1005566889 /nfs/dbraw/zinc/56/68/89/1005566889.db2.gz AEOFQZMZCHSEKT-ZJSXRUAMSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174517 1005566891 /nfs/dbraw/zinc/56/68/91/1005566891.db2.gz AEOFQZMZCHSEKT-ZJSXRUAMSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677681 1006348916 /nfs/dbraw/zinc/34/89/16/1006348916.db2.gz KXSYTKWPZHNPHK-AKIFATBCSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677681 1006348925 /nfs/dbraw/zinc/34/89/25/1006348925.db2.gz KXSYTKWPZHNPHK-AKIFATBCSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677681 1006348933 /nfs/dbraw/zinc/34/89/33/1006348933.db2.gz KXSYTKWPZHNPHK-AKIFATBCSA-N 1 3 412.647 3.537 20 0 HHADHO CN1CCC([NH+]2CCC(NCc3cn(-c4ccccc4)nc3C(C)(C)C)CC2)CC1 ZINC000531820281 1006449986 /nfs/dbraw/zinc/44/99/86/1006449986.db2.gz VLTNEWYTWYHMHP-UHFFFAOYSA-N 1 3 409.622 3.818 20 0 HHADHO C[NH+](C)CCC1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000531896789 1006503693 /nfs/dbraw/zinc/50/36/93/1006503693.db2.gz WZRTVZCQLSAWKW-UHFFFAOYSA-N 1 3 411.512 3.860 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000534515830 1006511714 /nfs/dbraw/zinc/51/17/14/1006511714.db2.gz XRSGICXMFZGGOM-QHCPKHFHSA-N 1 3 406.574 3.806 20 0 HHADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000534682822 1006662181 /nfs/dbraw/zinc/66/21/81/1006662181.db2.gz MVRJEQZEMJRUEK-BJKOFHAPSA-N 1 3 406.574 3.917 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532224853 1006733290 /nfs/dbraw/zinc/73/32/90/1006733290.db2.gz JPYNZKAKKFYNEB-HZPDHXFCSA-N 1 3 413.484 3.513 20 0 HHADHO CN(c1ccccc1CNCc1ccc(Cn2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000532362043 1006820223 /nfs/dbraw/zinc/82/02/23/1006820223.db2.gz QEEIAZYYRSLZTR-UHFFFAOYSA-N 1 3 403.574 3.752 20 0 HHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000532579025 1007012856 /nfs/dbraw/zinc/01/28/56/1007012856.db2.gz FWTAIZFKAKRJGQ-QPPBQGQZSA-N 1 3 405.586 3.720 20 0 HHADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628334 1007049906 /nfs/dbraw/zinc/04/99/06/1007049906.db2.gz GWHIQJLGWQBINI-DHIUTWEWSA-N 1 3 410.558 3.742 20 0 HHADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628344 1007050124 /nfs/dbraw/zinc/05/01/24/1007050124.db2.gz GWHIQJLGWQBINI-GOTSBHOMSA-N 1 3 410.558 3.742 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582064 1007166446 /nfs/dbraw/zinc/16/64/46/1007166446.db2.gz PTRYXUHOJWHKKO-AUSIDOKSSA-N 1 3 412.553 3.734 20 0 HHADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000532763277 1007167916 /nfs/dbraw/zinc/16/79/16/1007167916.db2.gz XATPQLQFXICJRJ-PZJWPPBQSA-N 1 3 409.574 3.981 20 0 HHADHO Cc1ccccc1CCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945159 1007229593 /nfs/dbraw/zinc/22/95/93/1007229593.db2.gz WDIXCFNZSCOPHQ-OAQYLSRUSA-N 1 3 408.590 3.676 20 0 HHADHO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000539031881 1007328688 /nfs/dbraw/zinc/32/86/88/1007328688.db2.gz UHRXEJSVPSYTCG-OAQYLSRUSA-N 1 3 420.601 3.757 20 0 HHADHO CN1CC[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000535397309 1007463113 /nfs/dbraw/zinc/46/31/13/1007463113.db2.gz NIUALENPGGJVJT-DQEYMECFSA-N 1 3 420.601 3.985 20 0 HHADHO CN1CC[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000535397309 1007463119 /nfs/dbraw/zinc/46/31/19/1007463119.db2.gz NIUALENPGGJVJT-DQEYMECFSA-N 1 3 420.601 3.985 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3CCc3ccccc3)CC2)CC1 ZINC000535559892 1007593454 /nfs/dbraw/zinc/59/34/54/1007593454.db2.gz OUHVJDWOROAKQI-DEOSSOPVSA-N 1 3 412.622 3.742 20 0 HHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000539628812 1007946265 /nfs/dbraw/zinc/94/62/65/1007946265.db2.gz VSSQWIGXXVRTOT-QFQXNSOFSA-N 1 3 419.617 3.936 20 0 HHADHO CC(C)C[C@H](N[C@H]1CCCc2nc(-c3ccccc3)sc21)C(=O)NCC[NH+](C)C ZINC000539646780 1007963869 /nfs/dbraw/zinc/96/38/69/1007963869.db2.gz HBAKKBFUIDNKHC-ICSRJNTNSA-N 1 3 414.619 3.870 20 0 HHADHO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824221 1008119094 /nfs/dbraw/zinc/11/90/94/1008119094.db2.gz DRGODZXMZJICOI-HYBUGGRVSA-N 1 3 423.601 3.829 20 0 HHADHO Cc1ccccc1C[C@@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043815 1008253344 /nfs/dbraw/zinc/25/33/44/1008253344.db2.gz GKTBZLCASJXNNW-OAQYLSRUSA-N 1 3 408.590 3.676 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000540046255 1008255808 /nfs/dbraw/zinc/25/58/08/1008255808.db2.gz ZXQIVKSXQYSNLM-UHFFFAOYSA-N 1 3 410.606 3.705 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000540169565 1008320153 /nfs/dbraw/zinc/32/01/53/1008320153.db2.gz LQSQICNNOLRAKY-OAHLLOKOSA-N 1 3 404.352 3.591 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493459 1008453821 /nfs/dbraw/zinc/45/38/21/1008453821.db2.gz ADVQPOOQDCDIBF-XLIONFOSSA-N 1 3 412.965 3.892 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@H](N[C@@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493459 1008453823 /nfs/dbraw/zinc/45/38/23/1008453823.db2.gz ADVQPOOQDCDIBF-XLIONFOSSA-N 1 3 412.965 3.892 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507897 1008460451 /nfs/dbraw/zinc/46/04/51/1008460451.db2.gz RHNLRLKVKSOWFJ-GGAORHGYSA-N 1 3 419.569 3.613 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000519497169 1008868497 /nfs/dbraw/zinc/86/84/97/1008868497.db2.gz ZUMSODIWNONHBV-UHFFFAOYSA-N 1 3 422.658 3.611 20 0 HHADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000519500231 1008871495 /nfs/dbraw/zinc/87/14/95/1008871495.db2.gz VWWJEMDMIJGILW-OAQYLSRUSA-N 1 3 402.970 3.716 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000519507269 1008879413 /nfs/dbraw/zinc/87/94/13/1008879413.db2.gz VQOFBTMUFBQGLZ-GOSISDBHSA-N 1 3 410.553 3.550 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000519507269 1008879428 /nfs/dbraw/zinc/87/94/28/1008879428.db2.gz VQOFBTMUFBQGLZ-GOSISDBHSA-N 1 3 410.553 3.550 20 0 HHADHO C[C@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461623 1009047860 /nfs/dbraw/zinc/04/78/60/1009047860.db2.gz OKPCECKVSASATC-HOTGVXAUSA-N 1 3 413.635 3.937 20 0 HHADHO C[C@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461623 1009047879 /nfs/dbraw/zinc/04/78/79/1009047879.db2.gz OKPCECKVSASATC-HOTGVXAUSA-N 1 3 413.635 3.937 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000519982970 1009128301 /nfs/dbraw/zinc/12/83/01/1009128301.db2.gz MMTAICXPILDWJZ-UHFFFAOYSA-N 1 3 400.611 3.585 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000519982970 1009128307 /nfs/dbraw/zinc/12/83/07/1009128307.db2.gz MMTAICXPILDWJZ-UHFFFAOYSA-N 1 3 400.611 3.585 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000546199057 1009226172 /nfs/dbraw/zinc/22/61/72/1009226172.db2.gz FPNPCZDNBVSQIZ-RTBURBONSA-N 1 3 422.411 3.825 20 0 HHADHO Cc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)ccc1Cl ZINC000543626398 1009232733 /nfs/dbraw/zinc/23/27/33/1009232733.db2.gz AUDKRHKWZVIHDW-KRWDZBQOSA-N 1 3 424.010 3.729 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)N(C)C)cc1 ZINC000520114120 1009271484 /nfs/dbraw/zinc/27/14/84/1009271484.db2.gz NQDLFQKAHSHYAG-JOCHJYFZSA-N 1 3 418.532 3.649 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C(c4cccc5ccccc54)C3)CC2)CC1 ZINC000543679305 1009290025 /nfs/dbraw/zinc/29/00/25/1009290025.db2.gz GOPOFSRGIUQYHS-UHFFFAOYSA-N 1 3 418.585 3.807 20 0 HHADHO COc1cc2c(c(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c1)O[C@H](C)C2 ZINC000520210994 1009345144 /nfs/dbraw/zinc/34/51/44/1009345144.db2.gz LSLPIWGRCVLZPU-OAQYLSRUSA-N 1 3 423.601 3.706 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000520463411 1009573326 /nfs/dbraw/zinc/57/33/26/1009573326.db2.gz XAYYJEUEMDTWFA-OAQYLSRUSA-N 1 3 400.611 3.601 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000520463411 1009573339 /nfs/dbraw/zinc/57/33/39/1009573339.db2.gz XAYYJEUEMDTWFA-OAQYLSRUSA-N 1 3 400.611 3.601 20 0 HHADHO C[NH+](C)CC1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC1 ZINC000546835445 1009792993 /nfs/dbraw/zinc/79/29/93/1009792993.db2.gz YUJVQZIAJODHRE-UHFFFAOYSA-N 1 3 404.624 3.521 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c(C)c2)CC1 ZINC000520831044 1009891583 /nfs/dbraw/zinc/89/15/83/1009891583.db2.gz MHZBNCLYWRVNNL-DEOSSOPVSA-N 1 3 423.605 3.870 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000521070515 1010087132 /nfs/dbraw/zinc/08/71/32/1010087132.db2.gz ZHFBPNMZAMHOIK-GOSISDBHSA-N 1 3 410.553 3.693 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000521070515 1010087148 /nfs/dbraw/zinc/08/71/48/1010087148.db2.gz ZHFBPNMZAMHOIK-GOSISDBHSA-N 1 3 410.553 3.693 20 0 HHADHO CCCOc1ccc(Br)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000547317765 1010252369 /nfs/dbraw/zinc/25/23/69/1010252369.db2.gz YPGAGPPFYTUYHD-UHFFFAOYSA-N 1 3 412.416 3.696 20 0 HHADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000521466477 1010387760 /nfs/dbraw/zinc/38/77/60/1010387760.db2.gz YPMFIACAVBJVQQ-UHFFFAOYSA-N 1 3 412.622 3.601 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000522318096 1010926443 /nfs/dbraw/zinc/92/64/43/1010926443.db2.gz QKSNQQOVWPRRJW-ZJSXRUAMSA-N 1 3 408.590 3.904 20 0 HHADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159039 1011285939 /nfs/dbraw/zinc/28/59/39/1011285939.db2.gz YJYYJHZDWFXXQR-POEKJWFMSA-N 1 3 418.585 3.927 20 0 HHADHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159039 1011285945 /nfs/dbraw/zinc/28/59/45/1011285945.db2.gz YJYYJHZDWFXXQR-POEKJWFMSA-N 1 3 418.585 3.927 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536231436 1011380692 /nfs/dbraw/zinc/38/06/92/1011380692.db2.gz GCGPJPXDNKJSDA-TZRRMPRUSA-N 1 3 421.589 3.523 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536231436 1011380705 /nfs/dbraw/zinc/38/07/05/1011380705.db2.gz GCGPJPXDNKJSDA-TZRRMPRUSA-N 1 3 421.589 3.523 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341092 1011819436 /nfs/dbraw/zinc/81/94/36/1011819436.db2.gz YULBSYQJSVFZHA-FPOVZHCZSA-N 1 3 400.592 3.554 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341092 1011819445 /nfs/dbraw/zinc/81/94/45/1011819445.db2.gz YULBSYQJSVFZHA-FPOVZHCZSA-N 1 3 400.592 3.554 20 0 HHADHO C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854023 1012085464 /nfs/dbraw/zinc/08/54/64/1012085464.db2.gz XDWKAZNOZGHAKF-SJLPKXTDSA-N 1 3 401.938 3.737 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523667690 1012264481 /nfs/dbraw/zinc/26/44/81/1012264481.db2.gz SSPUFHUGLIRWDT-XMMPIXPASA-N 1 3 406.574 3.596 20 0 HHADHO C[NH+]1CCN(Cc2ccc(CN[C@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000541547285 1012334756 /nfs/dbraw/zinc/33/47/56/1012334756.db2.gz SOPUKPZDHLBLAQ-RUZDIDTESA-N 1 3 404.533 3.847 20 0 HHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523832692 1012519730 /nfs/dbraw/zinc/51/97/30/1012519730.db2.gz IAJZQBDTLXXEIE-REWPJTCUSA-N 1 3 406.574 3.635 20 0 HHADHO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cccc(CN(C)C)c3)cc2)C[C@H]1C ZINC000537169368 1012572025 /nfs/dbraw/zinc/57/20/25/1012572025.db2.gz ACDVBRGYPWISSK-NHCUHLMSSA-N 1 3 423.601 3.687 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000541915098 1012773729 /nfs/dbraw/zinc/77/37/29/1012773729.db2.gz XWFBRGLJNOWAJK-JPYJTQIMSA-N 1 3 410.562 3.634 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000541915098 1012773745 /nfs/dbraw/zinc/77/37/45/1012773745.db2.gz XWFBRGLJNOWAJK-JPYJTQIMSA-N 1 3 410.562 3.634 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)CC1 ZINC000552881842 1012888767 /nfs/dbraw/zinc/88/87/67/1012888767.db2.gz RSPLGDNQSGYUFF-UHFFFAOYSA-N 1 3 409.578 3.624 20 0 HHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266286 1071830553 /nfs/dbraw/zinc/83/05/53/1071830553.db2.gz DICARIGBNRFAEE-DNQXCXABSA-N 1 3 421.585 3.561 20 0 HHADHO CC(=O)c1ccc(OC[C@H](O)CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871902 1072917156 /nfs/dbraw/zinc/91/71/56/1072917156.db2.gz ZWCCQZAJIQJWGD-ZYLNGJIFSA-N 1 3 424.585 3.897 20 0 HHADHO CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871897 1072917348 /nfs/dbraw/zinc/91/73/48/1072917348.db2.gz ZWCCQZAJIQJWGD-DFIYOIEZSA-N 1 3 424.585 3.897 20 0 HHADHO CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871897 1072917360 /nfs/dbraw/zinc/91/73/60/1072917360.db2.gz ZWCCQZAJIQJWGD-DFIYOIEZSA-N 1 3 424.585 3.897 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709782 1073155516 /nfs/dbraw/zinc/15/55/16/1073155516.db2.gz DLLNLQTXJZFEMQ-IRXDYDNUSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000588709782 1073155522 /nfs/dbraw/zinc/15/55/22/1073155522.db2.gz DLLNLQTXJZFEMQ-IRXDYDNUSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1C[C@@H](N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249914 1073279198 /nfs/dbraw/zinc/27/91/98/1073279198.db2.gz OCZXKHYTEBXNOP-RZFJZAQRSA-N 1 3 406.618 3.618 20 0 HHADHO C[C@@H]1C[C@@H](N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249914 1073279203 /nfs/dbraw/zinc/27/92/03/1073279203.db2.gz OCZXKHYTEBXNOP-RZFJZAQRSA-N 1 3 406.618 3.618 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060569 1073535456 /nfs/dbraw/zinc/53/54/56/1073535456.db2.gz RRKGXVUEQVTADZ-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060569 1073535461 /nfs/dbraw/zinc/53/54/61/1073535461.db2.gz RRKGXVUEQVTADZ-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000593829944 1075229261 /nfs/dbraw/zinc/22/92/61/1075229261.db2.gz GDVRIJRWALGJFO-TZIWHRDSSA-N 1 3 409.496 3.528 20 0 HHADHO CN(C)C(=O)CC[NH+]1CCC(NCc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000596691749 1075574542 /nfs/dbraw/zinc/57/45/42/1075574542.db2.gz UUJMMCHNYFDRSI-UHFFFAOYSA-N 1 3 418.585 3.722 20 0 HHADHO Fc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164656432 719297218 /nfs/dbraw/zinc/29/72/18/719297218.db2.gz XHKLKXFRCRMWFF-VWNXMTODSA-N 1 3 410.537 3.866 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839185 720665524 /nfs/dbraw/zinc/66/55/24/720665524.db2.gz JDBVKPSKUWWMDA-QFIPXVFZSA-N 1 3 421.589 3.645 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839185 720665537 /nfs/dbraw/zinc/66/55/37/720665537.db2.gz JDBVKPSKUWWMDA-QFIPXVFZSA-N 1 3 421.589 3.645 20 0 HHADHO FC1(F)CCN(c2cc(N3CCCC3)cc[nH+]2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906810 721716336 /nfs/dbraw/zinc/71/63/36/721716336.db2.gz OLUJKKIETRYWIC-QFIPXVFZSA-N 1 3 413.516 3.815 20 0 HHADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000303078957 971492265 /nfs/dbraw/zinc/49/22/65/971492265.db2.gz SURYOJTUOKFRSE-ISKFKSNPSA-N 1 3 409.549 3.991 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000303785781 972026465 /nfs/dbraw/zinc/02/64/65/972026465.db2.gz DMAYZHJXCJSKLP-QPPBQGQZSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000303785781 972026470 /nfs/dbraw/zinc/02/64/70/972026470.db2.gz DMAYZHJXCJSKLP-QPPBQGQZSA-N 1 3 408.590 3.904 20 0 HHADHO C[C@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000537621854 1013166699 /nfs/dbraw/zinc/16/66/99/1013166699.db2.gz JHYRFADUOQPVCO-SQJMNOBHSA-N 1 3 421.633 3.683 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000537621854 1013166707 /nfs/dbraw/zinc/16/67/07/1013166707.db2.gz JHYRFADUOQPVCO-SQJMNOBHSA-N 1 3 421.633 3.683 20 0 HHADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)N(C)C ZINC000537819055 1013382718 /nfs/dbraw/zinc/38/27/18/1013382718.db2.gz WTDZEGPHVYDCKB-DEOSSOPVSA-N 1 3 408.590 3.576 20 0 HHADHO CCN(Cc1cccc(F)c1)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537844678 1013407843 /nfs/dbraw/zinc/40/78/43/1013407843.db2.gz CJWQTSJRYJCCFL-UHFFFAOYSA-N 1 3 412.553 3.808 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]cc3-c3ccc(Cl)s3)CC2)CC1 ZINC000050797223 964400106 /nfs/dbraw/zinc/40/01/06/964400106.db2.gz RPNPEOOEXHXZMH-UHFFFAOYSA-N 1 3 406.983 3.685 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219987 966078628 /nfs/dbraw/zinc/07/86/28/966078628.db2.gz QFAYVWLZYNVQBC-XMMPIXPASA-N 1 3 418.585 3.842 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219987 966078642 /nfs/dbraw/zinc/07/86/42/966078642.db2.gz QFAYVWLZYNVQBC-XMMPIXPASA-N 1 3 418.585 3.842 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058379 1013635106 /nfs/dbraw/zinc/63/51/06/1013635106.db2.gz AIDKONYGMWQVMI-QRVBRYPASA-N 1 3 415.603 3.663 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000061190779 966392313 /nfs/dbraw/zinc/39/23/13/966392313.db2.gz FKFNWZJMONFZBH-URXFXBBRSA-N 1 3 420.601 3.782 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000061190779 966392326 /nfs/dbraw/zinc/39/23/26/966392326.db2.gz FKFNWZJMONFZBH-URXFXBBRSA-N 1 3 420.601 3.782 20 0 HHADHO O=C(COc1ccccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)N1CCCC1 ZINC000062426782 966674193 /nfs/dbraw/zinc/67/41/93/966674193.db2.gz XBVLDLINMCXBHK-HSZRJFAPSA-N 1 3 421.585 3.690 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)N(C)C)cc1 ZINC000062503109 966693355 /nfs/dbraw/zinc/69/33/55/966693355.db2.gz NQDLFQKAHSHYAG-QFIPXVFZSA-N 1 3 418.532 3.649 20 0 HHADHO S=C(NCCCN1CCc2ccccc2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063148100 966762168 /nfs/dbraw/zinc/76/21/68/966762168.db2.gz KNDILWJKNSHWQQ-UHFFFAOYSA-N 1 3 422.642 3.564 20 0 HHADHO Cc1ccccc1CN1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000063331947 966823039 /nfs/dbraw/zinc/82/30/39/966823039.db2.gz VKJCLMYJSSSIPO-UHFFFAOYSA-N 1 3 412.622 3.867 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N(CC[NH+](CC)CC)CC(C)C)c(C)c2)CC1 ZINC000043521424 966990546 /nfs/dbraw/zinc/99/05/46/966990546.db2.gz VVIWRYJXPLIZFK-UHFFFAOYSA-N 1 3 417.642 3.969 20 0 HHADHO COc1c(Br)cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1Br ZINC000044533245 967231903 /nfs/dbraw/zinc/23/19/03/967231903.db2.gz GIQVKPGWHORFGK-NSHDSACASA-N 1 3 406.162 3.652 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000065750090 968624006 /nfs/dbraw/zinc/62/40/06/968624006.db2.gz XAYYJEUEMDTWFA-NRFANRHFSA-N 1 3 400.611 3.601 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000065750090 968624009 /nfs/dbraw/zinc/62/40/09/968624009.db2.gz XAYYJEUEMDTWFA-NRFANRHFSA-N 1 3 400.611 3.601 20 0 HHADHO COc1cccc(CN2CCC(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000065992163 968757294 /nfs/dbraw/zinc/75/72/94/968757294.db2.gz CADPNUPXGAWXFA-UHFFFAOYSA-N 1 3 421.585 3.688 20 0 HHADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295211 1013830253 /nfs/dbraw/zinc/83/02/53/1013830253.db2.gz YWHYJDBRHCGFHU-RBBKRZOGSA-N 1 3 421.589 3.586 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)c1 ZINC000195720493 969980638 /nfs/dbraw/zinc/98/06/38/969980638.db2.gz YFQULKSMJKKNHF-BJKOFHAPSA-N 1 3 424.589 3.743 20 0 HHADHO C[C@H]1C[C@H]1c1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981669 970058375 /nfs/dbraw/zinc/05/83/75/970058375.db2.gz AHQZREIXIIZHPG-HTAPYJJXSA-N 1 3 414.594 3.636 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)CC1 ZINC000215978999 970058469 /nfs/dbraw/zinc/05/84/69/970058469.db2.gz KANWBHRJORVYAR-UHFFFAOYSA-N 1 3 416.900 3.622 20 0 HHADHO COCC[NH+]1CCC(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000237108675 970224030 /nfs/dbraw/zinc/22/40/30/970224030.db2.gz ZKGGTIGXTKOELD-MRXNPFEDSA-N 1 3 414.390 3.759 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000237803398 970371530 /nfs/dbraw/zinc/37/15/30/970371530.db2.gz BHCJXCVURICMCW-UHFFFAOYSA-N 1 3 405.464 3.821 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000248068601 970505369 /nfs/dbraw/zinc/50/53/69/970505369.db2.gz WUKVKKOSHGYWHY-VWLOTQADSA-N 1 3 422.617 3.637 20 0 HHADHO OC1(CNCc2cccc(Br)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397591959 972871406 /nfs/dbraw/zinc/87/14/06/972871406.db2.gz MZJQSDMGTVEGFK-UHFFFAOYSA-N 1 3 407.327 3.705 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000409455701 972901005 /nfs/dbraw/zinc/90/10/05/972901005.db2.gz YOOYEFRLTBHZLZ-NFBKMPQASA-N 1 3 409.574 3.973 20 0 HHADHO CC(C)CNC(=O)c1cccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426770262 974647415 /nfs/dbraw/zinc/64/74/15/974647415.db2.gz QJWHINWLVPEPCO-SFTDATJTSA-N 1 3 415.622 3.784 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000426802841 974672138 /nfs/dbraw/zinc/67/21/38/974672138.db2.gz YDJSHRGFCKJGST-QZTJIDSGSA-N 1 3 407.986 3.880 20 0 HHADHO C[C@@H](CSc1ccc(F)cc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000426844639 974707246 /nfs/dbraw/zinc/70/72/46/974707246.db2.gz DRMUWQHWTBNHGF-SFHVURJKSA-N 1 3 407.599 3.620 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068005 976353815 /nfs/dbraw/zinc/35/38/15/976353815.db2.gz BHTAPUNCWHYUDQ-JXALWOEJSA-N 1 3 421.589 3.742 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000429068005 976353827 /nfs/dbraw/zinc/35/38/27/976353827.db2.gz BHTAPUNCWHYUDQ-JXALWOEJSA-N 1 3 421.589 3.742 20 0 HHADHO C[C@H](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000429085408 976371940 /nfs/dbraw/zinc/37/19/40/976371940.db2.gz YPKXCZDNYXVALO-RTWAWAEBSA-N 1 3 423.605 3.817 20 0 HHADHO C[C@H](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000429085408 976371948 /nfs/dbraw/zinc/37/19/48/976371948.db2.gz YPKXCZDNYXVALO-RTWAWAEBSA-N 1 3 423.605 3.817 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000431628920 978395490 /nfs/dbraw/zinc/39/54/90/978395490.db2.gz UNSOVLNYUZMHOD-UHFFFAOYSA-N 1 3 424.580 3.796 20 0 HHADHO COc1cc(CN(C)[C@H](C)c2cnn(C)c2)cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993473 /nfs/dbraw/zinc/99/34/73/978993473.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 1 3 410.566 3.548 20 0 HHADHO COc1cc(CN(C)[C@H](C)c2cnn(C)c2)cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993477 /nfs/dbraw/zinc/99/34/77/978993477.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 1 3 410.566 3.548 20 0 HHADHO COc1cc(CN(C)[C@@H](C)c2cnn(C)c2)cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993479 /nfs/dbraw/zinc/99/34/79/978993479.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 1 3 410.566 3.548 20 0 HHADHO COc1cc(CN(C)[C@@H](C)c2cnn(C)c2)cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)c1 ZINC000432855812 978993486 /nfs/dbraw/zinc/99/34/86/978993486.db2.gz TVIFSMSULSFFOY-HDICACEKSA-N 1 3 410.566 3.548 20 0 HHADHO Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435286733 980760488 /nfs/dbraw/zinc/76/04/88/980760488.db2.gz DLSMPKLBVFSBIK-QHCPKHFHSA-N 1 3 417.557 3.952 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218260 981633168 /nfs/dbraw/zinc/63/31/68/981633168.db2.gz UFWQRWWQCNXZIV-DZFGPLHGSA-N 1 3 404.624 3.789 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218260 981633173 /nfs/dbraw/zinc/63/31/73/981633173.db2.gz UFWQRWWQCNXZIV-DZFGPLHGSA-N 1 3 404.624 3.789 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473740 981815501 /nfs/dbraw/zinc/81/55/01/981815501.db2.gz SZEASBLMIRMEOI-XZOQPEGZSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473740 981815509 /nfs/dbraw/zinc/81/55/09/981815509.db2.gz SZEASBLMIRMEOI-XZOQPEGZSA-N 1 3 400.611 3.660 20 0 HHADHO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460363419 982138364 /nfs/dbraw/zinc/13/83/64/982138364.db2.gz OGTZVJKMBJKVBE-MIOZMULLSA-N 1 3 409.574 3.619 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)(N2CCCCC2)CC1 ZINC000460504801 982293273 /nfs/dbraw/zinc/29/32/73/982293273.db2.gz QATLEWHUTDGZLC-RTBURBONSA-N 1 3 423.523 3.875 20 0 HHADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000437710186 982311001 /nfs/dbraw/zinc/31/10/01/982311001.db2.gz ORHNKUXMFYAMJX-UHFFFAOYSA-N 1 3 422.573 3.662 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000438955633 983176764 /nfs/dbraw/zinc/17/67/64/983176764.db2.gz CVYCYHJKRDBESI-HXUWFJFHSA-N 1 3 421.589 3.702 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439198090 983305644 /nfs/dbraw/zinc/30/56/44/983305644.db2.gz KVBINLKHVNTTBK-UHFFFAOYSA-N 1 3 402.608 3.862 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439198090 983305648 /nfs/dbraw/zinc/30/56/48/983305648.db2.gz KVBINLKHVNTTBK-UHFFFAOYSA-N 1 3 402.608 3.862 20 0 HHADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000439258267 983335066 /nfs/dbraw/zinc/33/50/66/983335066.db2.gz KKQRKAWQPFAJEJ-HSALFYBXSA-N 1 3 404.624 3.789 20 0 HHADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000439258267 983335072 /nfs/dbraw/zinc/33/50/72/983335072.db2.gz KKQRKAWQPFAJEJ-HSALFYBXSA-N 1 3 404.624 3.789 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000439765158 983529612 /nfs/dbraw/zinc/52/96/12/983529612.db2.gz DZTHFWJEBUZYCE-HXUWFJFHSA-N 1 3 424.589 3.758 20 0 HHADHO O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000462055627 985029261 /nfs/dbraw/zinc/02/92/61/985029261.db2.gz IRQCLKHRKAQFPZ-UHFFFAOYSA-N 1 3 420.601 3.501 20 0 HHADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000462196321 985178882 /nfs/dbraw/zinc/17/88/82/985178882.db2.gz PLUYGUNKOMSGOO-LADGPHEKSA-N 1 3 412.622 3.804 20 0 HHADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000463083809 986041067 /nfs/dbraw/zinc/04/10/67/986041067.db2.gz MDPMXWUXPHDSJY-OAQYLSRUSA-N 1 3 422.491 3.742 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463133608 986100678 /nfs/dbraw/zinc/10/06/78/986100678.db2.gz USTMDCSCQUSHPS-DCEDVJGZSA-N 1 3 411.565 3.842 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463133608 986100683 /nfs/dbraw/zinc/10/06/83/986100683.db2.gz USTMDCSCQUSHPS-DCEDVJGZSA-N 1 3 411.565 3.842 20 0 HHADHO CC(C)OC(=O)C[C@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468478239 986173540 /nfs/dbraw/zinc/17/35/40/986173540.db2.gz JUGQMMYOPJLPHD-HXUWFJFHSA-N 1 3 401.595 3.771 20 0 HHADHO OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000463246873 986215322 /nfs/dbraw/zinc/21/53/22/986215322.db2.gz XRDAJOYBKRMABH-HWFKNZEUSA-N 1 3 419.613 3.655 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000463278875 986246275 /nfs/dbraw/zinc/24/62/75/986246275.db2.gz DNEKXTNSPGJANG-FLRVNOIQSA-N 1 3 420.601 3.980 20 0 HHADHO CC(=O)NC1CCC([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CC1 ZINC000463298971 986267161 /nfs/dbraw/zinc/26/71/61/986267161.db2.gz GXRNLXWPYJDMDA-UHFFFAOYSA-N 1 3 420.601 3.546 20 0 HHADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000468711035 986425451 /nfs/dbraw/zinc/42/54/51/986425451.db2.gz YCOFRNAILOHAHJ-UHFFFAOYSA-N 1 3 407.480 3.971 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000469756256 987408880 /nfs/dbraw/zinc/40/88/80/987408880.db2.gz GBHBJCHFDFULLM-REHUZNOOSA-N 1 3 405.586 3.926 20 0 HHADHO CCCOc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000469764609 987417077 /nfs/dbraw/zinc/41/70/77/987417077.db2.gz OYNADRMIDWSRCF-ACWUQQCTSA-N 1 3 423.601 3.838 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000469766076 987418816 /nfs/dbraw/zinc/41/88/16/987418816.db2.gz WCPTVYCRAZECNZ-SFTDATJTSA-N 1 3 405.586 3.928 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@H]2c2cccs2)[C@H](C)C1 ZINC000469784929 987430771 /nfs/dbraw/zinc/43/07/71/987430771.db2.gz DNHNWZJIJYOGLL-ZRNYENFQSA-N 1 3 407.624 3.527 20 0 HHADHO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469787780 987433031 /nfs/dbraw/zinc/43/30/31/987433031.db2.gz RERHLOUZDJHFRP-IMIIHFCZSA-N 1 3 407.602 3.788 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791560 987435768 /nfs/dbraw/zinc/43/57/68/987435768.db2.gz PSDPOYLFPMSDFL-UGNRZPKXSA-N 1 3 410.002 3.632 20 0 HHADHO COc1cccc(N2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2=O)c1 ZINC000470172000 988087999 /nfs/dbraw/zinc/08/79/99/988087999.db2.gz QYNZQNPKRIYUNQ-RGQCGHIBSA-N 1 3 405.542 3.586 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470282842 988238432 /nfs/dbraw/zinc/23/84/32/988238432.db2.gz LKCSQHPANUWOLL-DHIUTWEWSA-N 1 3 400.611 3.516 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282842 988238448 /nfs/dbraw/zinc/23/84/48/988238448.db2.gz LKCSQHPANUWOLL-DHIUTWEWSA-N 1 3 400.611 3.516 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753555 988795825 /nfs/dbraw/zinc/79/58/25/988795825.db2.gz FHYVVMZHKKIDFX-SFTDATJTSA-N 1 3 418.651 3.894 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753555 988795831 /nfs/dbraw/zinc/79/58/31/988795831.db2.gz FHYVVMZHKKIDFX-SFTDATJTSA-N 1 3 418.651 3.894 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425254 989769833 /nfs/dbraw/zinc/76/98/33/989769833.db2.gz BETLSWHVHASNNA-WOJBJXKFSA-N 1 3 406.640 3.894 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425254 989769842 /nfs/dbraw/zinc/76/98/42/989769842.db2.gz BETLSWHVHASNNA-WOJBJXKFSA-N 1 3 406.640 3.894 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000465437834 989783399 /nfs/dbraw/zinc/78/33/99/989783399.db2.gz HNAATCGNIXEMLS-NOZRDPDXSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000465437834 989783406 /nfs/dbraw/zinc/78/34/06/989783406.db2.gz HNAATCGNIXEMLS-NOZRDPDXSA-N 1 3 420.601 3.987 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000465457587 989797413 /nfs/dbraw/zinc/79/74/13/989797413.db2.gz XCYXDKICLUCPHI-ISKFKSNPSA-N 1 3 408.590 3.843 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000465457587 989797419 /nfs/dbraw/zinc/79/74/19/989797419.db2.gz XCYXDKICLUCPHI-ISKFKSNPSA-N 1 3 408.590 3.843 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609464 989814428 /nfs/dbraw/zinc/81/44/28/989814428.db2.gz JFUMJSZGDXVIIV-IPJUCJBFSA-N 1 3 418.548 3.603 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471609464 989814433 /nfs/dbraw/zinc/81/44/33/989814433.db2.gz JFUMJSZGDXVIIV-IPJUCJBFSA-N 1 3 418.548 3.603 20 0 HHADHO C[NH+](C)[C@@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471609742 989814668 /nfs/dbraw/zinc/81/46/68/989814668.db2.gz KGHQOFCHWVIALP-ACBHZAAOSA-N 1 3 418.548 3.601 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711159 990096560 /nfs/dbraw/zinc/09/65/60/990096560.db2.gz GQLACGJOHPVKSC-PKTZIBPZSA-N 1 3 400.611 3.975 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711159 990096572 /nfs/dbraw/zinc/09/65/72/990096572.db2.gz GQLACGJOHPVKSC-PKTZIBPZSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745794 990130883 /nfs/dbraw/zinc/13/08/83/990130883.db2.gz GHGLDOSEIMVZPB-GZGNHOFSSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745794 990130888 /nfs/dbraw/zinc/13/08/88/990130888.db2.gz GHGLDOSEIMVZPB-GZGNHOFSSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@@H]1C[C@@H]1[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819692 990202893 /nfs/dbraw/zinc/20/28/93/990202893.db2.gz WARPVXHSEHAGAQ-XGRCMKMKSA-N 1 3 419.013 3.895 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465932752 991068195 /nfs/dbraw/zinc/06/81/95/991068195.db2.gz RNOJVBBXVPYHMA-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465932752 991068204 /nfs/dbraw/zinc/06/82/04/991068204.db2.gz RNOJVBBXVPYHMA-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000466437290 991726099 /nfs/dbraw/zinc/72/60/99/991726099.db2.gz AEWVOCQNRBJSFX-RDPSFJRHSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000466525166 991821133 /nfs/dbraw/zinc/82/11/33/991821133.db2.gz GIJQWQRWPMPMAT-ZJSXRUAMSA-N 1 3 420.601 3.955 20 0 HHADHO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000467776144 993015984 /nfs/dbraw/zinc/01/59/84/993015984.db2.gz KHIHTRMWQHKJGK-VWLOTQADSA-N 1 3 420.601 3.957 20 0 HHADHO CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472291958 993307429 /nfs/dbraw/zinc/30/74/29/993307429.db2.gz ALZQSSXIVSPJRX-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472291958 993307440 /nfs/dbraw/zinc/30/74/40/993307440.db2.gz ALZQSSXIVSPJRX-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480899067 993756363 /nfs/dbraw/zinc/75/63/63/993756363.db2.gz OATUCSAHWHOJST-LJQANCHMSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209753 994042862 /nfs/dbraw/zinc/04/28/62/994042862.db2.gz PGLWTNSVYRICDX-DCEDVJGZSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209753 994042873 /nfs/dbraw/zinc/04/28/73/994042873.db2.gz PGLWTNSVYRICDX-DCEDVJGZSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423322 /nfs/dbraw/zinc/42/33/22/994423322.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423327 /nfs/dbraw/zinc/42/33/27/994423327.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582720 994423334 /nfs/dbraw/zinc/42/33/34/994423334.db2.gz PGBVNUZSKQKPSO-VVZHRXSXSA-N 1 3 407.602 3.908 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c2)CC1 ZINC000473827121 994757268 /nfs/dbraw/zinc/75/72/68/994757268.db2.gz HEFULTRMYRKIEM-NHCUHLMSSA-N 1 3 415.626 3.708 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cccc(-c4ccccc4)c3)CC2)CC1 ZINC000474005341 994995489 /nfs/dbraw/zinc/99/54/89/994995489.db2.gz LTAOKFVMMHDHDD-UHFFFAOYSA-N 1 3 420.601 3.754 20 0 HHADHO Cc1c([C@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000482545991 995553879 /nfs/dbraw/zinc/55/38/79/995553879.db2.gz BMWUGSLDNFYRFJ-KRWDZBQOSA-N 1 3 411.525 3.549 20 0 HHADHO Cc1ccccc1COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482554796 995561971 /nfs/dbraw/zinc/56/19/71/995561971.db2.gz QFSHAOINOKVZDY-RBBKRZOGSA-N 1 3 409.574 3.812 20 0 HHADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(OC)c1OC ZINC000482563509 995569549 /nfs/dbraw/zinc/56/95/49/995569549.db2.gz WMDXMKHANJVHGG-KRWDZBQOSA-N 1 3 414.546 3.520 20 0 HHADHO Clc1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630258 995578256 /nfs/dbraw/zinc/57/82/56/995578256.db2.gz FWCQAQWISMAEED-MRXNPFEDSA-N 1 3 401.967 3.984 20 0 HHADHO Clc1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(-n2cncn2)c1 ZINC000474630258 995578270 /nfs/dbraw/zinc/57/82/70/995578270.db2.gz FWCQAQWISMAEED-MRXNPFEDSA-N 1 3 401.967 3.984 20 0 HHADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631658 995625779 /nfs/dbraw/zinc/62/57/79/995625779.db2.gz OEJPZPVRRUNVIU-ZJSXRUAMSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631658 995625787 /nfs/dbraw/zinc/62/57/87/995625787.db2.gz OEJPZPVRRUNVIU-ZJSXRUAMSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccccc1-c1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482886354 995817725 /nfs/dbraw/zinc/81/77/25/995817725.db2.gz JDDXMSDYCVLQEP-LJQANCHMSA-N 1 3 409.574 3.956 20 0 HHADHO CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475012583 995869258 /nfs/dbraw/zinc/86/92/58/995869258.db2.gz IYIILISDXQUODU-BJKOFHAPSA-N 1 3 406.574 3.739 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475138048 995946764 /nfs/dbraw/zinc/94/67/64/995946764.db2.gz LXUGNLGEDSHZDB-VWLOTQADSA-N 1 3 420.601 3.875 20 0 HHADHO C[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138455 995947409 /nfs/dbraw/zinc/94/74/09/995947409.db2.gz MLIZMMOEKFRURD-CYFREDJKSA-N 1 3 402.542 3.818 20 0 HHADHO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000483133342 995994348 /nfs/dbraw/zinc/99/43/48/995994348.db2.gz HSJNFYRIZKMHSC-MSOLQXFVSA-N 1 3 401.576 3.934 20 0 HHADHO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000483342771 996111715 /nfs/dbraw/zinc/11/17/15/996111715.db2.gz XSQOWWPFSWFJPI-UHFFFAOYSA-N 1 3 416.635 3.760 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483495441 996217475 /nfs/dbraw/zinc/21/74/75/996217475.db2.gz YNRPORWQHNFHGY-CAOCKLPOSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483495441 996217484 /nfs/dbraw/zinc/21/74/84/996217484.db2.gz YNRPORWQHNFHGY-CAOCKLPOSA-N 1 3 424.585 3.559 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739470 996359057 /nfs/dbraw/zinc/35/90/57/996359057.db2.gz GOIDKBQYBXNQCP-YRISNDGFSA-N 1 3 421.632 3.732 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739470 996359061 /nfs/dbraw/zinc/35/90/61/996359061.db2.gz GOIDKBQYBXNQCP-YRISNDGFSA-N 1 3 421.632 3.732 20 0 HHADHO CC(C)Cn1ccc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc21 ZINC000483896650 996455450 /nfs/dbraw/zinc/45/54/50/996455450.db2.gz OHXPVZSMBAHHTD-UHFFFAOYSA-N 1 3 411.594 3.977 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Oc4ccccn4)c3)CC2)CC1 ZINC000483946172 996483135 /nfs/dbraw/zinc/48/31/35/996483135.db2.gz VLGDVTMKKCFBPJ-UHFFFAOYSA-N 1 3 409.534 3.554 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1 ZINC000475982450 996513853 /nfs/dbraw/zinc/51/38/53/996513853.db2.gz IHGYPEROLJBYNW-HSZRJFAPSA-N 1 3 400.611 3.948 20 0 HHADHO CN(CCCN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccco1 ZINC000476876009 997453771 /nfs/dbraw/zinc/45/37/71/997453771.db2.gz CDKFWIURRGUCAN-UHFFFAOYSA-N 1 3 412.578 3.929 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000476932152 997546555 /nfs/dbraw/zinc/54/65/55/997546555.db2.gz VRJSHUNXBILJAG-JOCHJYFZSA-N 1 3 400.542 3.770 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000476957234 997572502 /nfs/dbraw/zinc/57/25/02/997572502.db2.gz ZNRFXJLFJYVXRR-HXUWFJFHSA-N 1 3 412.622 3.745 20 0 HHADHO CCOc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485410179 997842977 /nfs/dbraw/zinc/84/29/77/997842977.db2.gz STIOIJGEFOKHCT-PMACEKPBSA-N 1 3 417.594 3.625 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465665 997910956 /nfs/dbraw/zinc/91/09/56/997910956.db2.gz OGNVOYMDTLXLJE-XUVXKRRUSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465665 997910969 /nfs/dbraw/zinc/91/09/69/997910969.db2.gz OGNVOYMDTLXLJE-XUVXKRRUSA-N 1 3 404.624 3.647 20 0 HHADHO Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000486567138 998830464 /nfs/dbraw/zinc/83/04/64/998830464.db2.gz PBFAVNPNZAIKAQ-PGRDOPGGSA-N 1 3 406.530 3.957 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478340122 998900670 /nfs/dbraw/zinc/90/06/70/998900670.db2.gz MCTUUEZSDOHZBQ-UHFFFAOYSA-N 1 3 418.029 3.940 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000486757652 998926192 /nfs/dbraw/zinc/92/61/92/998926192.db2.gz BFBZYENVZQMOIT-SDHSZQHLSA-N 1 3 424.633 3.913 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073725 999280895 /nfs/dbraw/zinc/28/08/95/999280895.db2.gz YEJFYKRXEYOGRM-MGPUTAFESA-N 1 3 412.391 3.903 20 0 HHADHO COc1cc2c(cc1OC)[C@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000479332469 999389561 /nfs/dbraw/zinc/38/95/61/999389561.db2.gz FNAYQILORXJATP-XMMPIXPASA-N 1 3 423.601 3.879 20 0 HHADHO CC(C)[NH+]1CCN(C2CCN(Cc3cncc(OCc4ccccc4)c3)CC2)CC1 ZINC000488156786 999396417 /nfs/dbraw/zinc/39/64/17/999396417.db2.gz LUZMATYLPNUBLZ-UHFFFAOYSA-N 1 3 408.590 3.651 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666276 999564358 /nfs/dbraw/zinc/56/43/58/999564358.db2.gz FKFNWZJMONFZBH-QPPBQGQZSA-N 1 3 420.601 3.782 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666276 999564361 /nfs/dbraw/zinc/56/43/61/999564361.db2.gz FKFNWZJMONFZBH-QPPBQGQZSA-N 1 3 420.601 3.782 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000489279277 999735875 /nfs/dbraw/zinc/73/58/75/999735875.db2.gz UOUPZAXUXZJPER-HSZRJFAPSA-N 1 3 412.578 3.888 20 0 HHADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480252847 999756895 /nfs/dbraw/zinc/75/68/95/999756895.db2.gz FUACAXGVGCWDRX-LJQANCHMSA-N 1 3 415.603 3.774 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000489400161 999759359 /nfs/dbraw/zinc/75/93/59/999759359.db2.gz JNFCOBFDGSOLCC-QDSKXPNFSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N(C)C)cc1 ZINC000489400161 999759361 /nfs/dbraw/zinc/75/93/61/999759361.db2.gz JNFCOBFDGSOLCC-QDSKXPNFSA-N 1 3 408.590 3.808 20 0 HHADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489430282 999765772 /nfs/dbraw/zinc/76/57/72/999765772.db2.gz GRDODQKTCQKTIN-NJDAHSKKSA-N 1 3 400.611 3.659 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441930 999768127 /nfs/dbraw/zinc/76/81/27/999768127.db2.gz UHHNSNJAHWYPCW-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441930 999768128 /nfs/dbraw/zinc/76/81/28/999768128.db2.gz UHHNSNJAHWYPCW-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543442 999788713 /nfs/dbraw/zinc/78/87/13/999788713.db2.gz GXGDHXYLPJPRNE-ZJSXRUAMSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543442 999788717 /nfs/dbraw/zinc/78/87/17/999788717.db2.gz GXGDHXYLPJPRNE-ZJSXRUAMSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000480468265 999806176 /nfs/dbraw/zinc/80/61/76/999806176.db2.gz OABFSVDKMWULBY-GOSISDBHSA-N 1 3 401.576 3.895 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489774031 999835662 /nfs/dbraw/zinc/83/56/62/999835662.db2.gz GINZFMGATFZCQT-MOPGFXCFSA-N 1 3 414.516 3.651 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000489886333 999855200 /nfs/dbraw/zinc/85/52/00/999855200.db2.gz MCDUTECEBHVXCA-HSZRJFAPSA-N 1 3 400.611 3.803 20 0 HHADHO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000491595734 1000087548 /nfs/dbraw/zinc/08/75/48/1000087548.db2.gz CYPHQLLWFCZARP-GOSISDBHSA-N 1 3 408.546 3.844 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426256 1000126591 /nfs/dbraw/zinc/12/65/91/1000126591.db2.gz UZDOIIVCVZGAHK-NQHRYMMQSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426256 1000126593 /nfs/dbraw/zinc/12/65/93/1000126593.db2.gz UZDOIIVCVZGAHK-NQHRYMMQSA-N 1 3 420.601 3.513 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000493038434 1000155144 /nfs/dbraw/zinc/15/51/44/1000155144.db2.gz VOILXECLKQOYQU-HHHXNRCGSA-N 1 3 417.597 3.909 20 0 HHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000504915565 1000446176 /nfs/dbraw/zinc/44/61/76/1000446176.db2.gz URKYKKBCLUOBSL-NRFANRHFSA-N 1 3 410.562 3.550 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000505726793 1000995042 /nfs/dbraw/zinc/99/50/42/1000995042.db2.gz NARSMEAVGBXKRJ-YGOYIFOWSA-N 1 3 424.589 3.823 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(Cc2ccccc2)nc1C ZINC000505750772 1001006004 /nfs/dbraw/zinc/00/60/04/1001006004.db2.gz VFVJJMWWQSIOFV-HXUWFJFHSA-N 1 3 414.619 3.530 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1COC ZINC000505783849 1001022101 /nfs/dbraw/zinc/02/21/01/1001022101.db2.gz LYYVTECLUOGKRO-MRXNPFEDSA-N 1 3 421.582 3.675 20 0 HHADHO CN(C)Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000505796079 1001029994 /nfs/dbraw/zinc/02/99/94/1001029994.db2.gz NSPRYDNADTTXNV-UHFFFAOYSA-N 1 3 408.546 3.815 20 0 HHADHO C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000496249192 1001147366 /nfs/dbraw/zinc/14/73/66/1001147366.db2.gz YUVUGWHYYRTWFI-YKSBVNFPSA-N 1 3 424.589 3.652 20 0 HHADHO CN(c1ccccc1CN1CCC(NC(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000506309182 1001344745 /nfs/dbraw/zinc/34/47/45/1001344745.db2.gz JVAUIPDHRSIQTF-UHFFFAOYSA-N 1 3 420.601 3.611 20 0 HHADHO CN(c1ccccc1CN1CCN(CCc2cccs2)CC1)C1CC[NH+](C)CC1 ZINC000507080430 1001795343 /nfs/dbraw/zinc/79/53/43/1001795343.db2.gz ALBPRMNDWJPMMB-UHFFFAOYSA-N 1 3 412.647 3.639 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691475 1002078864 /nfs/dbraw/zinc/07/88/64/1002078864.db2.gz CZRKDOUSLNAUIM-GPUOULLFSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691475 1002078876 /nfs/dbraw/zinc/07/88/76/1002078876.db2.gz CZRKDOUSLNAUIM-GPUOULLFSA-N 1 3 420.601 3.813 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000498717175 1002099006 /nfs/dbraw/zinc/09/90/06/1002099006.db2.gz LVTKGWOWBFAOCL-UNMCSNQZSA-N 1 3 412.578 3.572 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000498717175 1002099011 /nfs/dbraw/zinc/09/90/11/1002099011.db2.gz LVTKGWOWBFAOCL-UNMCSNQZSA-N 1 3 412.578 3.572 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507510913 1002121708 /nfs/dbraw/zinc/12/17/08/1002121708.db2.gz NNJOIVNWZDXVBS-TWJOJJKGSA-N 1 3 413.565 3.897 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507510913 1002121702 /nfs/dbraw/zinc/12/17/02/1002121702.db2.gz NNJOIVNWZDXVBS-TWJOJJKGSA-N 1 3 413.565 3.897 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507518349 1002128496 /nfs/dbraw/zinc/12/84/96/1002128496.db2.gz CPWSJIYBEHIKLD-NKKJXINNSA-N 1 3 417.553 3.563 20 0 HHADHO Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000498795048 1002180487 /nfs/dbraw/zinc/18/04/87/1002180487.db2.gz AZJPLFSKKPUGJR-BYXVTNLJSA-N 1 3 417.597 3.977 20 0 HHADHO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000498795048 1002180493 /nfs/dbraw/zinc/18/04/93/1002180493.db2.gz AZJPLFSKKPUGJR-BYXVTNLJSA-N 1 3 417.597 3.977 20 0 HHADHO O=C(NCCCCC[NH+]1CCCC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508233005 1002759974 /nfs/dbraw/zinc/75/99/74/1002759974.db2.gz ZCHSYTYZTZBRLG-OAQYLSRUSA-N 1 3 411.512 3.823 20 0 HHADHO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508698065 1003136485 /nfs/dbraw/zinc/13/64/85/1003136485.db2.gz NLTDMMLIAZHKGC-BPUDTRNYSA-N 1 3 407.558 3.804 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@@H](C)O1 ZINC000508894900 1003325127 /nfs/dbraw/zinc/32/51/27/1003325127.db2.gz ONCUEROBNHKBTE-OTPAQWSUSA-N 1 3 416.606 3.956 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508906762 1003344762 /nfs/dbraw/zinc/34/47/62/1003344762.db2.gz OGRXFTRCRBDUCR-QNWVGRARSA-N 1 3 400.611 3.831 20 0 HHADHO CC(C)[NH+]1CCN(C2CCN(Cc3ccc(Sc4ccccn4)o3)CC2)CC1 ZINC000508967676 1003438011 /nfs/dbraw/zinc/43/80/11/1003438011.db2.gz NGQDQAARLDAJIG-UHFFFAOYSA-N 1 3 400.592 3.816 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093262 1003453077 /nfs/dbraw/zinc/45/30/77/1003453077.db2.gz ZCHYVUNWZVHOML-SFHVURJKSA-N 1 3 400.394 3.863 20 0 HHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093262 1003453083 /nfs/dbraw/zinc/45/30/83/1003453083.db2.gz ZCHYVUNWZVHOML-SFHVURJKSA-N 1 3 400.394 3.863 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000500217029 1003558032 /nfs/dbraw/zinc/55/80/32/1003558032.db2.gz HNJOFUJFPOHNCF-CALCHBBNSA-N 1 3 400.485 3.905 20 0 HHADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231845 1003641314 /nfs/dbraw/zinc/64/13/14/1003641314.db2.gz HALBOAWOVGVYMS-OPYAIIAOSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231845 1003641320 /nfs/dbraw/zinc/64/13/20/1003641320.db2.gz HALBOAWOVGVYMS-OPYAIIAOSA-N 1 3 411.512 3.678 20 0 HHADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)N1CCCCC1 ZINC000500444589 1003722972 /nfs/dbraw/zinc/72/29/72/1003722972.db2.gz VAQQVDWLIIXLBX-RBBKRZOGSA-N 1 3 401.595 3.513 20 0 HHADHO C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc(CN(C)C)c2)CCOCC1)c1ccccc1 ZINC000500699786 1003904051 /nfs/dbraw/zinc/90/40/51/1003904051.db2.gz OIYXIMOHIXZCPJ-LJQANCHMSA-N 1 3 410.562 3.770 20 0 HHADHO Cc1cc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)sc1Br ZINC000511990079 1003938957 /nfs/dbraw/zinc/93/89/57/1003938957.db2.gz NNSIWUFIXNLNAB-AWEZNQCLSA-N 1 3 424.408 3.961 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579343 1003957991 /nfs/dbraw/zinc/95/79/91/1003957991.db2.gz TZZQNTRZQNGCFY-PWRODBHTSA-N 1 3 404.599 3.862 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000500816559 1003976518 /nfs/dbraw/zinc/97/65/18/1003976518.db2.gz XPHHWXDIYJMZPP-DEOSSOPVSA-N 1 3 423.605 3.805 20 0 HHADHO CC(C)[C@H](CNC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501018117 1004120527 /nfs/dbraw/zinc/12/05/27/1004120527.db2.gz CNWXFEUKDHYAAI-DEOSSOPVSA-N 1 3 408.590 3.786 20 0 HHADHO O=C(CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237995 1004140439 /nfs/dbraw/zinc/14/04/39/1004140439.db2.gz XLOGOLBTGNLTSN-DEOSSOPVSA-N 1 3 411.977 3.944 20 0 HHADHO O=C(CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCc1ccccc1Cl ZINC000512237995 1004140443 /nfs/dbraw/zinc/14/04/43/1004140443.db2.gz XLOGOLBTGNLTSN-DEOSSOPVSA-N 1 3 411.977 3.944 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172980 1004253972 /nfs/dbraw/zinc/25/39/72/1004253972.db2.gz JNSYTBJDUSLUMB-RTWAWAEBSA-N 1 3 400.592 3.705 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172980 1004253983 /nfs/dbraw/zinc/25/39/83/1004253983.db2.gz JNSYTBJDUSLUMB-RTWAWAEBSA-N 1 3 400.592 3.705 20 0 HHADHO CC[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000501336777 1004355079 /nfs/dbraw/zinc/35/50/79/1004355079.db2.gz WWHURYHUHVKIKX-RUZDIDTESA-N 1 3 420.601 3.919 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)N2CCCC2)c1 ZINC000501402315 1004394760 /nfs/dbraw/zinc/39/47/60/1004394760.db2.gz YUHPFYIUJZUHFK-PKTZIBPZSA-N 1 3 416.610 3.642 20 0 HHADHO CC[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000501405917 1004397402 /nfs/dbraw/zinc/39/74/02/1004397402.db2.gz LVZCROAKEYSSRR-JOCHJYFZSA-N 1 3 410.562 3.585 20 0 HHADHO CC[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000501406682 1004397673 /nfs/dbraw/zinc/39/76/73/1004397673.db2.gz PLHYNBBCAHPCAN-RUZDIDTESA-N 1 3 420.601 3.919 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618267 1004431320 /nfs/dbraw/zinc/43/13/20/1004431320.db2.gz IACZVNHJWFHTPF-FPRSRYDQSA-N 1 3 416.512 3.595 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618267 1004431328 /nfs/dbraw/zinc/43/13/28/1004431328.db2.gz IACZVNHJWFHTPF-FPRSRYDQSA-N 1 3 416.512 3.595 20 0 HHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@H]3C2)cc1 ZINC000512660855 1004471251 /nfs/dbraw/zinc/47/12/51/1004471251.db2.gz OZZQFECGXHBAKY-RJGXRXQPSA-N 1 3 407.606 3.827 20 0 HHADHO CCOc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc(Br)c1O ZINC000512841029 1004601466 /nfs/dbraw/zinc/60/14/66/1004601466.db2.gz PTSZUZKQNFPGQC-UHFFFAOYSA-N 1 3 423.351 3.784 20 0 HHADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544866 1004677569 /nfs/dbraw/zinc/67/75/69/1004677569.db2.gz JQMLJTVCIHLSNP-CMKODMSKSA-N 1 3 404.624 3.837 20 0 HHADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544866 1004677572 /nfs/dbraw/zinc/67/75/72/1004677572.db2.gz JQMLJTVCIHLSNP-CMKODMSKSA-N 1 3 404.624 3.837 20 0 HHADHO c1c(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000513110220 1004811883 /nfs/dbraw/zinc/81/18/83/1004811883.db2.gz LTFIJSJCDLPOIT-UHFFFAOYSA-N 1 3 401.558 3.957 20 0 HHADHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000501946087 1004824247 /nfs/dbraw/zinc/82/42/47/1004824247.db2.gz GMNZJJYBXFDURF-UHFFFAOYSA-N 1 3 413.528 3.717 20 0 HHADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000502493246 1005090980 /nfs/dbraw/zinc/09/09/80/1005090980.db2.gz JCTAINVQCBTYMX-NRFANRHFSA-N 1 3 404.624 3.664 20 0 HHADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000502493246 1005090986 /nfs/dbraw/zinc/09/09/86/1005090986.db2.gz JCTAINVQCBTYMX-NRFANRHFSA-N 1 3 404.624 3.664 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN(CC)Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000513725557 1005097696 /nfs/dbraw/zinc/09/76/96/1005097696.db2.gz PRKMAEWRHJHMNI-UHFFFAOYSA-N 1 3 422.617 3.943 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000502863395 1005248752 /nfs/dbraw/zinc/24/87/52/1005248752.db2.gz QCAVKUNAHYDOPY-REWPJTCUSA-N 1 3 416.610 3.786 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)cc1 ZINC000502863395 1005248756 /nfs/dbraw/zinc/24/87/56/1005248756.db2.gz QCAVKUNAHYDOPY-REWPJTCUSA-N 1 3 416.610 3.786 20 0 HHADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000503065682 1005335364 /nfs/dbraw/zinc/33/53/64/1005335364.db2.gz ZZRDIPFJRKTHFA-DEOSSOPVSA-N 1 3 420.601 3.957 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC3(N4CCSCC4)CCCC3)C2)CC1 ZINC000503391286 1005406224 /nfs/dbraw/zinc/40/62/24/1005406224.db2.gz OIIHNGLJODSKMM-OAQYLSRUSA-N 1 3 422.683 3.502 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000514578894 1006045504 /nfs/dbraw/zinc/04/55/04/1006045504.db2.gz IYBSBPVDIZKWOI-UHFFFAOYSA-N 1 3 408.590 3.946 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181160 1006169304 /nfs/dbraw/zinc/16/93/04/1006169304.db2.gz GSKNFKRPUXYISW-JWQCQUIFSA-N 1 3 423.601 3.531 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181160 1006169310 /nfs/dbraw/zinc/16/93/10/1006169310.db2.gz GSKNFKRPUXYISW-JWQCQUIFSA-N 1 3 423.601 3.531 20 0 HHADHO CC[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)N1CCc2ccccc2C1 ZINC000531446252 1006202251 /nfs/dbraw/zinc/20/22/51/1006202251.db2.gz DMWDRDOMEBCVLS-QHCPKHFHSA-N 1 3 406.574 3.560 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866346 1006487036 /nfs/dbraw/zinc/48/70/36/1006487036.db2.gz PECHZLTZTYZTPC-HXUWFJFHSA-N 1 3 422.960 3.875 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(Cl)c4cccnc34)c2)C1 ZINC000531866346 1006487047 /nfs/dbraw/zinc/48/70/47/1006487047.db2.gz PECHZLTZTYZTPC-HXUWFJFHSA-N 1 3 422.960 3.875 20 0 HHADHO COC1CCN(C2(C[NH2+]C3CCN(CCc4ccc(F)cc4)CC3)CCCC2)CC1 ZINC000531975863 1006555076 /nfs/dbraw/zinc/55/50/76/1006555076.db2.gz KNRQGGHJFGGXLX-UHFFFAOYSA-N 1 3 417.613 3.846 20 0 HHADHO COc1ccc([C@@H](N[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388797 1006658591 /nfs/dbraw/zinc/65/85/91/1006658591.db2.gz CHZPQQKFNQBLDH-DFBJGRDBSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000532221215 1006731272 /nfs/dbraw/zinc/73/12/72/1006731272.db2.gz ZYCRKUDAPAUOKE-OAHLLOKOSA-N 1 3 404.352 3.591 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nc3cc(F)ccc3n2C)CC1 ZINC000532296131 1006778923 /nfs/dbraw/zinc/77/89/23/1006778923.db2.gz SROCRIRCAPYPBL-UHFFFAOYSA-N 1 3 409.553 3.577 20 0 HHADHO Cc1ccnc(OC2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000516109643 1006887882 /nfs/dbraw/zinc/88/78/82/1006887882.db2.gz NTBPKRSSXNGKGU-UHFFFAOYSA-N 1 3 408.590 3.964 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000516215021 1006951624 /nfs/dbraw/zinc/95/16/24/1006951624.db2.gz BTYSZFRNOMOMGW-KRWDZBQOSA-N 1 3 422.411 3.682 20 0 HHADHO Fc1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1-n1cncn1 ZINC000538762505 1007047559 /nfs/dbraw/zinc/04/75/59/1007047559.db2.gz UBOGCVAEOAPCPG-UHFFFAOYSA-N 1 3 405.521 3.895 20 0 HHADHO Fc1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1-n1cncn1 ZINC000538762505 1007047572 /nfs/dbraw/zinc/04/75/72/1007047572.db2.gz UBOGCVAEOAPCPG-UHFFFAOYSA-N 1 3 405.521 3.895 20 0 HHADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000532763278 1007168483 /nfs/dbraw/zinc/16/84/83/1007168483.db2.gz XATPQLQFXICJRJ-TZIWHRDSSA-N 1 3 409.574 3.981 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCC[N@H+](C)Cc2ccccc2)N2CCCCC2)cc1 ZINC000516609054 1007191154 /nfs/dbraw/zinc/19/11/54/1007191154.db2.gz LFEGDFBMJHDQSC-DEOSSOPVSA-N 1 3 424.589 3.653 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCC[N@@H+](C)Cc2ccccc2)N2CCCCC2)cc1 ZINC000516609054 1007191162 /nfs/dbraw/zinc/19/11/62/1007191162.db2.gz LFEGDFBMJHDQSC-DEOSSOPVSA-N 1 3 424.589 3.653 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062580 1007355840 /nfs/dbraw/zinc/35/58/40/1007355840.db2.gz WPTDINBUUCWADK-CEXWTWQISA-N 1 3 409.368 3.630 20 0 HHADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000539063775 1007356860 /nfs/dbraw/zinc/35/68/60/1007356860.db2.gz VDGFOCYQJKBFTG-JVPBZIDWSA-N 1 3 411.384 3.876 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073093 1007363994 /nfs/dbraw/zinc/36/39/94/1007363994.db2.gz HXKPTDGYBZWDGT-HSALFYBXSA-N 1 3 400.567 3.539 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073091 1007364588 /nfs/dbraw/zinc/36/45/88/1007364588.db2.gz HXKPTDGYBZWDGT-AQNXPRMDSA-N 1 3 400.567 3.539 20 0 HHADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000539073753 1007365242 /nfs/dbraw/zinc/36/52/42/1007365242.db2.gz QNEFEICLYWVMCH-HNNXBMFYSA-N 1 3 402.608 3.891 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000535437605 1007500144 /nfs/dbraw/zinc/50/01/44/1007500144.db2.gz VAAOBUXLQYXETQ-UHFFFAOYSA-N 1 3 415.626 3.726 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000517438595 1007660830 /nfs/dbraw/zinc/66/08/30/1007660830.db2.gz GDPKJIMQVIMJRD-XHDPSFHLSA-N 1 3 420.189 3.992 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000517438595 1007660834 /nfs/dbraw/zinc/66/08/34/1007660834.db2.gz GDPKJIMQVIMJRD-XHDPSFHLSA-N 1 3 420.189 3.992 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613014 1007819031 /nfs/dbraw/zinc/81/90/31/1007819031.db2.gz RBUVQXTYDFFTIR-REWPJTCUSA-N 1 3 401.595 3.847 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613014 1007819065 /nfs/dbraw/zinc/81/90/65/1007819065.db2.gz RBUVQXTYDFFTIR-REWPJTCUSA-N 1 3 401.595 3.847 20 0 HHADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536100533 1008124943 /nfs/dbraw/zinc/12/49/43/1008124943.db2.gz VWNHIRNWKMZRRP-UPVQGACJSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045553 1008254888 /nfs/dbraw/zinc/25/48/88/1008254888.db2.gz RCHOOKGJSKCTHX-GOSISDBHSA-N 1 3 414.981 3.978 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000540171898 1008321527 /nfs/dbraw/zinc/32/15/27/1008321527.db2.gz GLINUQJUWBDNGF-ZACQAIPSSA-N 1 3 415.500 3.902 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)c(F)c1 ZINC000540175428 1008323073 /nfs/dbraw/zinc/32/30/73/1008323073.db2.gz FSZGOKNBZAHITM-CQSZACIVSA-N 1 3 422.342 3.730 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000540184256 1008326456 /nfs/dbraw/zinc/32/64/56/1008326456.db2.gz YMGGGYFWSLLJKZ-WMZHIEFXSA-N 1 3 402.579 3.804 20 0 HHADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264837 1008360536 /nfs/dbraw/zinc/36/05/36/1008360536.db2.gz LWTQDPYBCXTATN-QZTJIDSGSA-N 1 3 401.576 3.559 20 0 HHADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264837 1008360541 /nfs/dbraw/zinc/36/05/41/1008360541.db2.gz LWTQDPYBCXTATN-QZTJIDSGSA-N 1 3 401.576 3.559 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000518623355 1008369051 /nfs/dbraw/zinc/36/90/51/1008369051.db2.gz FPFQQNJDEXNDIA-PZJWPPBQSA-N 1 3 415.603 3.548 20 0 HHADHO CCC(CC)[C@@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461404 1008441136 /nfs/dbraw/zinc/44/11/36/1008441136.db2.gz OOVXGDJLSXWVIN-XZOQPEGZSA-N 1 3 415.622 3.701 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493457 1008453777 /nfs/dbraw/zinc/45/37/77/1008453777.db2.gz ADVQPOOQDCDIBF-FXAWDEMLSA-N 1 3 412.965 3.892 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@@H](N[C@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493457 1008453778 /nfs/dbraw/zinc/45/37/78/1008453778.db2.gz ADVQPOOQDCDIBF-FXAWDEMLSA-N 1 3 412.965 3.892 20 0 HHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362200 1008761491 /nfs/dbraw/zinc/76/14/91/1008761491.db2.gz WHBOSQZRDMDRLE-LADGPHEKSA-N 1 3 409.549 3.819 20 0 HHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362200 1008761512 /nfs/dbraw/zinc/76/15/12/1008761512.db2.gz WHBOSQZRDMDRLE-LADGPHEKSA-N 1 3 409.549 3.819 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000549406964 1008994115 /nfs/dbraw/zinc/99/41/15/1008994115.db2.gz WEBSJMDLXVOOKX-UHFFFAOYSA-N 1 3 424.637 3.512 20 0 HHADHO COc1cccc2c1CCC[C@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862928 1009039715 /nfs/dbraw/zinc/03/97/15/1009039715.db2.gz JEAAZKMLSRZTJV-NFBKMPQASA-N 1 3 407.558 3.560 20 0 HHADHO COc1cccc2c1CCC[C@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000519862928 1009039737 /nfs/dbraw/zinc/03/97/37/1009039737.db2.gz JEAAZKMLSRZTJV-NFBKMPQASA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1 ZINC000519872685 1009042902 /nfs/dbraw/zinc/04/29/02/1009042902.db2.gz DCYRNHHQBYAJEC-XMMPIXPASA-N 1 3 424.589 3.509 20 0 HHADHO CC[C@H](CNC(=O)NCc1cccc(C[N@H+](C)CC)c1)N1CCc2ccccc2C1 ZINC000519934072 1009088428 /nfs/dbraw/zinc/08/84/28/1009088428.db2.gz ISUQVYIRKPYLMM-XMMPIXPASA-N 1 3 408.590 3.774 20 0 HHADHO CC[C@H](CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1)N1CCc2ccccc2C1 ZINC000519934072 1009088444 /nfs/dbraw/zinc/08/84/44/1009088444.db2.gz ISUQVYIRKPYLMM-XMMPIXPASA-N 1 3 408.590 3.774 20 0 HHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000519988643 1009136184 /nfs/dbraw/zinc/13/61/84/1009136184.db2.gz DKDNBTVKORILME-DEOSSOPVSA-N 1 3 408.590 3.815 20 0 HHADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867942 1009486879 /nfs/dbraw/zinc/48/68/79/1009486879.db2.gz JFBPICAYHPPYCC-AABGKKOBSA-N 1 3 412.496 3.615 20 0 HHADHO c1cn(-c2csc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c2)cn1 ZINC000544187331 1009790752 /nfs/dbraw/zinc/79/07/52/1009790752.db2.gz USPQHKNKDIDIOK-UHFFFAOYSA-N 1 3 409.603 3.621 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785193 1010174533 /nfs/dbraw/zinc/17/45/33/1010174533.db2.gz PPLSFDUXZZWWMU-NVXWUHKLSA-N 1 3 407.377 3.854 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3sc(Br)cc32)C1 ZINC000550785193 1010174537 /nfs/dbraw/zinc/17/45/37/1010174537.db2.gz PPLSFDUXZZWWMU-NVXWUHKLSA-N 1 3 407.377 3.854 20 0 HHADHO CN1CC[C@@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000551005617 1010312822 /nfs/dbraw/zinc/31/28/22/1010312822.db2.gz MRXWJOLSVUTPPF-CLJLJLNGSA-N 1 3 406.618 3.619 20 0 HHADHO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547828482 1010441562 /nfs/dbraw/zinc/44/15/62/1010441562.db2.gz LKSHPDJWVHURAI-GRYUFTJMSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686015 1010550031 /nfs/dbraw/zinc/55/00/31/1010550031.db2.gz VGTSZPSLMOSVNJ-WMZHIEFXSA-N 1 3 412.553 3.734 20 0 HHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000521687297 1010551856 /nfs/dbraw/zinc/55/18/56/1010551856.db2.gz KPYWWZSNENJQCH-QGZVFWFLSA-N 1 3 410.553 3.549 20 0 HHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000521687297 1010551866 /nfs/dbraw/zinc/55/18/66/1010551866.db2.gz KPYWWZSNENJQCH-QGZVFWFLSA-N 1 3 410.553 3.549 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000521917388 1010709273 /nfs/dbraw/zinc/70/92/73/1010709273.db2.gz RMGKIFWTJFWYPH-UHFFFAOYSA-N 1 3 421.010 3.557 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548773958 1010727310 /nfs/dbraw/zinc/72/73/10/1010727310.db2.gz CHJOINPLCKEZMH-OAFYVUHTSA-N 1 3 408.586 3.942 20 0 HHADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1C1CCCCC1 ZINC000522109149 1010817075 /nfs/dbraw/zinc/81/70/75/1010817075.db2.gz CCUQHUVDLZNING-UHFFFAOYSA-N 1 3 400.611 3.899 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522828265 1011263805 /nfs/dbraw/zinc/26/38/05/1011263805.db2.gz WFWRKTUBWOLURI-OFVILXPXSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000522828265 1011263810 /nfs/dbraw/zinc/26/38/10/1011263810.db2.gz WFWRKTUBWOLURI-OFVILXPXSA-N 1 3 420.601 3.842 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)cc2)CC1 ZINC000522852744 1011292748 /nfs/dbraw/zinc/29/27/48/1011292748.db2.gz VWYYDSBHVGRGKB-VWLOTQADSA-N 1 3 420.601 3.704 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536192733 1011333713 /nfs/dbraw/zinc/33/37/13/1011333713.db2.gz OZOWKQNMQDGAFC-QPTUXGOLSA-N 1 3 406.574 3.595 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536192733 1011333721 /nfs/dbraw/zinc/33/37/21/1011333721.db2.gz OZOWKQNMQDGAFC-QPTUXGOLSA-N 1 3 406.574 3.595 20 0 HHADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536230705 1011379904 /nfs/dbraw/zinc/37/99/04/1011379904.db2.gz CUWURGLMIKVDJW-RTBURBONSA-N 1 3 414.516 3.738 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536231435 1011380418 /nfs/dbraw/zinc/38/04/18/1011380418.db2.gz GCGPJPXDNKJSDA-SMIHKQSGSA-N 1 3 421.589 3.523 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536231435 1011380428 /nfs/dbraw/zinc/38/04/28/1011380428.db2.gz GCGPJPXDNKJSDA-SMIHKQSGSA-N 1 3 421.589 3.523 20 0 HHADHO Cc1cccc(CN(Cc2ccco2)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000523309051 1011786570 /nfs/dbraw/zinc/78/65/70/1011786570.db2.gz QZEDBFMREDCOOE-UHFFFAOYSA-N 1 3 424.589 3.858 20 0 HHADHO Brc1ccc2c(c1)C=C(CN1CCC(OCC[NH+]3CCCC3)CC1)CO2 ZINC000536667605 1011821655 /nfs/dbraw/zinc/82/16/55/1011821655.db2.gz KDQQDFRJEKAYCZ-UHFFFAOYSA-N 1 3 421.379 3.802 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032935 1012058018 /nfs/dbraw/zinc/05/80/18/1012058018.db2.gz CYAKTGTVYDLBDL-QLBJFCOMSA-N 1 3 421.585 3.592 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032935 1012058037 /nfs/dbraw/zinc/05/80/37/1012058037.db2.gz CYAKTGTVYDLBDL-QLBJFCOMSA-N 1 3 421.585 3.592 20 0 HHADHO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552055602 1012073765 /nfs/dbraw/zinc/07/37/65/1012073765.db2.gz VZWGLHJFUOLDCL-ZFAFIAQSSA-N 1 3 408.590 3.778 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057575 1012074379 /nfs/dbraw/zinc/07/43/79/1012074379.db2.gz GXFMVAMFCVTZTN-OAQYLSRUSA-N 1 3 407.549 3.723 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057575 1012074395 /nfs/dbraw/zinc/07/43/95/1012074395.db2.gz GXFMVAMFCVTZTN-OAQYLSRUSA-N 1 3 407.549 3.723 20 0 HHADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536859290 1012092507 /nfs/dbraw/zinc/09/25/07/1012092507.db2.gz SZTUQVQVXKHWQN-ZACQAIPSSA-N 1 3 411.974 3.545 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000536876576 1012119736 /nfs/dbraw/zinc/11/97/36/1012119736.db2.gz OJVMHXZGABHPLC-NFBKMPQASA-N 1 3 401.595 3.539 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114233 1012131738 /nfs/dbraw/zinc/13/17/38/1012131738.db2.gz BBNIOUCCWZKDST-RTWAWAEBSA-N 1 3 407.549 3.628 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114233 1012131749 /nfs/dbraw/zinc/13/17/49/1012131749.db2.gz BBNIOUCCWZKDST-RTWAWAEBSA-N 1 3 407.549 3.628 20 0 HHADHO CN(CCc1cccc2ccccc21)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523599187 1012163051 /nfs/dbraw/zinc/16/30/51/1012163051.db2.gz KCNUOSJATGKFDY-UHFFFAOYSA-N 1 3 408.590 3.582 20 0 HHADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000552255858 1012266191 /nfs/dbraw/zinc/26/61/91/1012266191.db2.gz XNJDYMKQOJNCCU-SGNDLWITSA-N 1 3 423.580 3.510 20 0 HHADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@H]2CCC[C@@H]21 ZINC000552255858 1012266205 /nfs/dbraw/zinc/26/62/05/1012266205.db2.gz XNJDYMKQOJNCCU-SGNDLWITSA-N 1 3 423.580 3.510 20 0 HHADHO COc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000552301774 1012314111 /nfs/dbraw/zinc/31/41/11/1012314111.db2.gz PFUIPJSLVBDJBB-UHFFFAOYSA-N 1 3 416.484 3.713 20 0 HHADHO CC1CCC([NH+]2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)CC1 ZINC000523784774 1012435206 /nfs/dbraw/zinc/43/52/06/1012435206.db2.gz GVPHVRJDWPBGOH-MHJFOBGBSA-N 1 3 404.624 3.791 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CC1(N3CCOCC3)CCCCC1)c1ccccc1O2 ZINC000537167879 1012571067 /nfs/dbraw/zinc/57/10/67/1012571067.db2.gz KRUHYVBPHMFJGA-JOCHJYFZSA-N 1 3 413.606 3.599 20 0 HHADHO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3cccc(CN(C)C)c3)cc2)C[C@@H]1C ZINC000537169370 1012572740 /nfs/dbraw/zinc/57/27/40/1012572740.db2.gz ACDVBRGYPWISSK-SFTDATJTSA-N 1 3 423.601 3.687 20 0 HHADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000487852990 1072086456 /nfs/dbraw/zinc/08/64/56/1072086456.db2.gz BAZFUELHLVPAIH-UHFFFAOYSA-N 1 3 408.542 3.875 20 0 HHADHO C[N@H+](Cc1ccccc1)CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000487852990 1072086466 /nfs/dbraw/zinc/08/64/66/1072086466.db2.gz BAZFUELHLVPAIH-UHFFFAOYSA-N 1 3 408.542 3.875 20 0 HHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCOc1ccc(Br)cc1 ZINC001168285031 1072424449 /nfs/dbraw/zinc/42/44/49/1072424449.db2.gz QIQGEMHIBVZHOK-YZGWKJHDSA-N 1 3 411.384 3.792 20 0 HHADHO CC(C)(C)OC(=O)N1CC[C@](C[NH2+]C2CCN(CC3CC3)CC2)(C(F)(F)F)C1 ZINC001168351574 1072533474 /nfs/dbraw/zinc/53/34/74/1072533474.db2.gz VIFCTFYLNUMISC-LJQANCHMSA-N 1 3 405.505 3.640 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594907 1072890120 /nfs/dbraw/zinc/89/01/20/1072890120.db2.gz DOJPFLMZKRCLCN-XWGVYQGASA-N 1 3 407.558 3.991 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594907 1072890140 /nfs/dbraw/zinc/89/01/40/1072890140.db2.gz DOJPFLMZKRCLCN-XWGVYQGASA-N 1 3 407.558 3.991 20 0 HHADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)c2)CC1 ZINC000588699429 1073149856 /nfs/dbraw/zinc/14/98/56/1073149856.db2.gz KNJFDDJPAVPQOQ-RUZDIDTESA-N 1 3 420.601 3.842 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(CCOc3ccccc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000588711369 1073157092 /nfs/dbraw/zinc/15/70/92/1073157092.db2.gz ONLRONILFDSQQU-IAGOWNOFSA-N 1 3 400.485 3.905 20 0 HHADHO C[C@@H]1C[C@H](N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249913 1073279148 /nfs/dbraw/zinc/27/91/48/1073279148.db2.gz OCZXKHYTEBXNOP-RCXJIHSJSA-N 1 3 406.618 3.618 20 0 HHADHO C[C@@H]1C[C@H](N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249913 1073279152 /nfs/dbraw/zinc/27/91/52/1073279152.db2.gz OCZXKHYTEBXNOP-RCXJIHSJSA-N 1 3 406.618 3.618 20 0 HHADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417714 1073452155 /nfs/dbraw/zinc/45/21/55/1073452155.db2.gz ISYVVWINPRWYRT-XXBNENTESA-N 1 3 419.585 3.558 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417714 1073452157 /nfs/dbraw/zinc/45/21/57/1073452157.db2.gz ISYVVWINPRWYRT-XXBNENTESA-N 1 3 419.585 3.558 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@@H](C)O1 ZINC000590060553 1073534901 /nfs/dbraw/zinc/53/49/01/1073534901.db2.gz NHALWWDFCFPLRQ-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C[C@@H](C)O1 ZINC000590060553 1073534914 /nfs/dbraw/zinc/53/49/14/1073534914.db2.gz NHALWWDFCFPLRQ-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502578 1075205524 /nfs/dbraw/zinc/20/55/24/1075205524.db2.gz UJMDQAYRNKSMSV-SIKLNZKXSA-N 1 3 410.562 3.974 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502576 1075205553 /nfs/dbraw/zinc/20/55/53/1075205553.db2.gz UJMDQAYRNKSMSV-KNQAVFIVSA-N 1 3 410.562 3.974 20 0 HHADHO Fc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164656430 719297199 /nfs/dbraw/zinc/29/71/99/719297199.db2.gz XHKLKXFRCRMWFF-LADGPHEKSA-N 1 3 410.537 3.866 20 0 HHADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303145279 971526615 /nfs/dbraw/zinc/52/66/15/971526615.db2.gz DPDQBLPOZBKFNX-FQEVSTJZSA-N 1 3 411.565 3.717 20 0 HHADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303145279 971526622 /nfs/dbraw/zinc/52/66/22/971526622.db2.gz DPDQBLPOZBKFNX-FQEVSTJZSA-N 1 3 411.565 3.717 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000303153167 971530866 /nfs/dbraw/zinc/53/08/66/971530866.db2.gz SZMDZVMSZJAQBX-KRWDZBQOSA-N 1 3 404.580 3.508 20 0 HHADHO C[NH+](C)Cc1cc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1F ZINC000303606965 971895345 /nfs/dbraw/zinc/89/53/45/971895345.db2.gz BFGGIISUHIDUHI-FQEVSTJZSA-N 1 3 402.514 3.507 20 0 HHADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000303776756 972021174 /nfs/dbraw/zinc/02/11/74/972021174.db2.gz RRCJHKZYFKSXAN-INIZCTEOSA-N 1 3 411.512 3.559 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623162 1013171482 /nfs/dbraw/zinc/17/14/82/1013171482.db2.gz YTQOQDDPPAEMHV-FQEVSTJZSA-N 1 3 401.595 3.630 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623162 1013171489 /nfs/dbraw/zinc/17/14/89/1013171489.db2.gz YTQOQDDPPAEMHV-FQEVSTJZSA-N 1 3 401.595 3.630 20 0 HHADHO CCCCN1CCc2ccc(NC(=O)C3CCN(C4CC[NH+](CC)CC4)CC3)cc21 ZINC000553516492 1013415881 /nfs/dbraw/zinc/41/58/81/1013415881.db2.gz KCTJSXQTKWROCA-UHFFFAOYSA-N 1 3 412.622 3.984 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537902367 1013486869 /nfs/dbraw/zinc/48/68/69/1013486869.db2.gz QSIBUGYWCDVMKO-OAQYLSRUSA-N 1 3 421.589 3.604 20 0 HHADHO COc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1-c1ccccc1 ZINC000050797398 964400333 /nfs/dbraw/zinc/40/03/33/964400333.db2.gz QLXSNHXRJYERLY-UHFFFAOYSA-N 1 3 407.558 3.651 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(SC(F)(F)F)cc3)CC2)CC1 ZINC000050800826 964401352 /nfs/dbraw/zinc/40/13/52/964401352.db2.gz OVNOEZWCSNKKTL-UHFFFAOYSA-N 1 3 401.498 3.587 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C4SCCCS4)cc3)CC2)CC1 ZINC000050801435 964401910 /nfs/dbraw/zinc/40/19/10/964401910.db2.gz HSYUNLRIQOSQAR-UHFFFAOYSA-N 1 3 419.660 3.844 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000051240002 964503888 /nfs/dbraw/zinc/50/38/88/964503888.db2.gz XBTPVFSWLJIAGM-CQSZACIVSA-N 1 3 413.393 3.912 20 0 HHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000537959355 1013538580 /nfs/dbraw/zinc/53/85/80/1013538580.db2.gz DAEYYKAJIGMUEL-SLFFLAALSA-N 1 3 411.359 3.933 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986599 1013561454 /nfs/dbraw/zinc/56/14/54/1013561454.db2.gz KCBBKTMDSKWDKB-ZODMCCGTSA-N 1 3 401.639 3.796 20 0 HHADHO C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000537987871 1013562420 /nfs/dbraw/zinc/56/24/20/1013562420.db2.gz TXWFIXVJQJFTES-HXUWFJFHSA-N 1 3 405.542 3.688 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989283 1013563095 /nfs/dbraw/zinc/56/30/95/1013563095.db2.gz ALZXJSBTDDDEFU-OFVILXPXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989283 1013563103 /nfs/dbraw/zinc/56/31/03/1013563103.db2.gz ALZXJSBTDDDEFU-OFVILXPXSA-N 1 3 401.554 3.897 20 0 HHADHO CC[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000031664306 966079217 /nfs/dbraw/zinc/07/92/17/966079217.db2.gz BZINXQLPVLLLCP-VWLOTQADSA-N 1 3 420.601 3.787 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000060524109 966190566 /nfs/dbraw/zinc/19/05/66/966190566.db2.gz HQOLQCMKFQSZNV-UHFFFAOYSA-N 1 3 417.601 3.965 20 0 HHADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000061230261 966403504 /nfs/dbraw/zinc/40/35/04/966403504.db2.gz WBTZRJIFCWMAQG-RPWUZVMVSA-N 1 3 406.574 3.787 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000056846297 966490525 /nfs/dbraw/zinc/49/05/25/966490525.db2.gz ZGOGVGMHCJKZNH-UHFFFAOYSA-N 1 3 414.569 3.939 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000056846297 966490531 /nfs/dbraw/zinc/49/05/31/966490531.db2.gz ZGOGVGMHCJKZNH-UHFFFAOYSA-N 1 3 414.569 3.939 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000061791761 966555488 /nfs/dbraw/zinc/55/54/88/966555488.db2.gz WMPIWZVQXYVYEB-UHFFFAOYSA-N 1 3 418.651 3.862 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000061791761 966555491 /nfs/dbraw/zinc/55/54/91/966555491.db2.gz WMPIWZVQXYVYEB-UHFFFAOYSA-N 1 3 418.651 3.862 20 0 HHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000062476148 966684143 /nfs/dbraw/zinc/68/41/43/966684143.db2.gz WOBHLZAJWFERDQ-UHFFFAOYSA-N 1 3 412.553 3.695 20 0 HHADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000063311765 966812389 /nfs/dbraw/zinc/81/23/89/966812389.db2.gz SOGSEPFYBBFQKO-XMMPIXPASA-N 1 3 407.558 3.517 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000065438612 967466426 /nfs/dbraw/zinc/46/64/26/967466426.db2.gz RZJRGVGHLGNWPE-LJQANCHMSA-N 1 3 415.626 3.769 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)c(C)c2)CC1 ZINC000065438612 967466432 /nfs/dbraw/zinc/46/64/32/967466432.db2.gz RZJRGVGHLGNWPE-LJQANCHMSA-N 1 3 415.626 3.769 20 0 HHADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCCN1CCC(Cc2ccccc2)CC1 ZINC000538218389 1013769500 /nfs/dbraw/zinc/76/95/00/1013769500.db2.gz WHLOCGJYLVPCGL-GOTSBHOMSA-N 1 3 406.636 3.667 20 0 HHADHO CC[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000047306007 968132746 /nfs/dbraw/zinc/13/27/46/968132746.db2.gz AMPHZZJZYQNVKJ-RUZDIDTESA-N 1 3 405.586 3.852 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065939243 968730651 /nfs/dbraw/zinc/73/06/51/968730651.db2.gz DLQBNVRTVZKTRO-OAQYLSRUSA-N 1 3 415.528 3.767 20 0 HHADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000066008576 968768225 /nfs/dbraw/zinc/76/82/25/968768225.db2.gz JMDVHGZDSBJPKH-MZKRTTBSSA-N 1 3 414.663 3.863 20 0 HHADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000066008576 968768236 /nfs/dbraw/zinc/76/82/36/968768236.db2.gz JMDVHGZDSBJPKH-MZKRTTBSSA-N 1 3 414.663 3.863 20 0 HHADHO CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295212 1013830108 /nfs/dbraw/zinc/83/01/08/1013830108.db2.gz YWHYJDBRHCGFHU-UNMCSNQZSA-N 1 3 421.589 3.586 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627911 969049026 /nfs/dbraw/zinc/04/90/26/969049026.db2.gz NVKHLMXAAPLNFE-JOCHJYFZSA-N 1 3 406.574 3.679 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627911 969049036 /nfs/dbraw/zinc/04/90/36/969049036.db2.gz NVKHLMXAAPLNFE-JOCHJYFZSA-N 1 3 406.574 3.679 20 0 HHADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000108413407 969380789 /nfs/dbraw/zinc/38/07/89/969380789.db2.gz LEHDEXBXUFEGPD-FQEVSTJZSA-N 1 3 418.582 3.798 20 0 HHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109312943 969496363 /nfs/dbraw/zinc/49/63/63/969496363.db2.gz UMPXOTJIEZKHLC-VWLOTQADSA-N 1 3 420.601 3.816 20 0 HHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109312943 969496368 /nfs/dbraw/zinc/49/63/68/969496368.db2.gz UMPXOTJIEZKHLC-VWLOTQADSA-N 1 3 420.601 3.816 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395347 969891262 /nfs/dbraw/zinc/89/12/62/969891262.db2.gz KPYFFFIMNDRRFW-FTBPSBKWSA-N 1 3 420.601 3.978 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395347 969891267 /nfs/dbraw/zinc/89/12/67/969891267.db2.gz KPYFFFIMNDRRFW-FTBPSBKWSA-N 1 3 420.601 3.978 20 0 HHADHO CC1CCN([C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c2cccs2)CC1 ZINC000236727535 970164370 /nfs/dbraw/zinc/16/43/70/970164370.db2.gz FEMLAUYNBFHXMJ-NRFANRHFSA-N 1 3 411.615 3.959 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCCc2nc3ccccc3n2C)CC1 ZINC000236813370 970175498 /nfs/dbraw/zinc/17/54/98/970175498.db2.gz KXAGZQRWHPOBEB-UHFFFAOYSA-N 1 3 405.590 3.828 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000236952058 970194017 /nfs/dbraw/zinc/19/40/17/970194017.db2.gz YCGBJABDUONVLU-LJQANCHMSA-N 1 3 416.997 3.677 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000409455709 972900786 /nfs/dbraw/zinc/90/07/86/972900786.db2.gz YOOYEFRLTBHZLZ-NZQKXSOJSA-N 1 3 409.574 3.973 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351749 973942938 /nfs/dbraw/zinc/94/29/38/973942938.db2.gz HHSKISXUUMTAAA-BWKNWUBXSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351749 973942949 /nfs/dbraw/zinc/94/29/49/973942949.db2.gz HHSKISXUUMTAAA-BWKNWUBXSA-N 1 3 420.601 3.992 20 0 HHADHO CSc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426770180 974647236 /nfs/dbraw/zinc/64/72/36/974647236.db2.gz PRJPPFMMLDEPEI-OALUTQOASA-N 1 3 419.635 3.948 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000426774690 974650735 /nfs/dbraw/zinc/65/07/35/974650735.db2.gz PNXJRKMMIWHWBL-QZTJIDSGSA-N 1 3 407.986 3.880 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426783859 974656445 /nfs/dbraw/zinc/65/64/45/974656445.db2.gz KSWNZXQMLLYEKM-OALUTQOASA-N 1 3 422.013 3.558 20 0 HHADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000427705713 975245672 /nfs/dbraw/zinc/24/56/72/975245672.db2.gz JXRODDVVBXBLQO-CQSZACIVSA-N 1 3 410.331 3.817 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000428683710 975975459 /nfs/dbraw/zinc/97/54/59/975975459.db2.gz GDGGXTLBUUTXHH-ZTCOLXNVSA-N 1 3 408.590 3.950 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N(C)C)cc1 ZINC000428683710 975975466 /nfs/dbraw/zinc/97/54/66/975975466.db2.gz GDGGXTLBUUTXHH-ZTCOLXNVSA-N 1 3 408.590 3.950 20 0 HHADHO C[C@@H](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000429085409 976371791 /nfs/dbraw/zinc/37/17/91/976371791.db2.gz YPKXCZDNYXVALO-SFTDATJTSA-N 1 3 423.605 3.817 20 0 HHADHO C[C@@H](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000429085409 976371807 /nfs/dbraw/zinc/37/18/07/976371807.db2.gz YPKXCZDNYXVALO-SFTDATJTSA-N 1 3 423.605 3.817 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324660 976591585 /nfs/dbraw/zinc/59/15/85/976591585.db2.gz FMELZJBVSJTEPV-VWLOTQADSA-N 1 3 423.601 3.938 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1)C(C)C ZINC000429324660 976591594 /nfs/dbraw/zinc/59/15/94/976591594.db2.gz FMELZJBVSJTEPV-VWLOTQADSA-N 1 3 423.601 3.938 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497571 976754427 /nfs/dbraw/zinc/75/44/27/976754427.db2.gz QXZQFUSAXLZNKN-AJSBUHFISA-N 1 3 414.638 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497571 976754431 /nfs/dbraw/zinc/75/44/31/976754431.db2.gz QXZQFUSAXLZNKN-AJSBUHFISA-N 1 3 414.638 3.974 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828635 977784254 /nfs/dbraw/zinc/78/42/54/977784254.db2.gz BXGZBILIQYUYHZ-FGCOXFRFSA-N 1 3 412.574 3.558 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828635 977784261 /nfs/dbraw/zinc/78/42/61/977784261.db2.gz BXGZBILIQYUYHZ-FGCOXFRFSA-N 1 3 412.574 3.558 20 0 HHADHO CN(CCC(=O)Nc1ccccc1Oc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000430986185 977931966 /nfs/dbraw/zinc/93/19/66/977931966.db2.gz BVAITNUNNXTGTG-UHFFFAOYSA-N 1 3 424.589 3.765 20 0 HHADHO CN(CCC(=O)Nc1ccccc1Oc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000430986185 977931974 /nfs/dbraw/zinc/93/19/74/977931974.db2.gz BVAITNUNNXTGTG-UHFFFAOYSA-N 1 3 424.589 3.765 20 0 HHADHO Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000431136350 978041821 /nfs/dbraw/zinc/04/18/21/978041821.db2.gz IXJRGBNMRRIYDZ-FQEVSTJZSA-N 1 3 424.593 3.587 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322758 978207726 /nfs/dbraw/zinc/20/77/26/978207726.db2.gz YAEIUTZBPVZTKC-ZJSXRUAMSA-N 1 3 420.601 3.611 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000431322758 978207735 /nfs/dbraw/zinc/20/77/35/978207735.db2.gz YAEIUTZBPVZTKC-ZJSXRUAMSA-N 1 3 420.601 3.611 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677698 978430526 /nfs/dbraw/zinc/43/05/26/978430526.db2.gz FGCGIHFWFKHZTK-RBBKRZOGSA-N 1 3 424.589 3.939 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677698 978430530 /nfs/dbraw/zinc/43/05/30/978430530.db2.gz FGCGIHFWFKHZTK-RBBKRZOGSA-N 1 3 424.589 3.939 20 0 HHADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433117830 979081245 /nfs/dbraw/zinc/08/12/45/979081245.db2.gz VKHKHUSEKJVBIM-HXUWFJFHSA-N 1 3 409.549 3.819 20 0 HHADHO Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435520934 980917109 /nfs/dbraw/zinc/91/71/09/980917109.db2.gz UJVPOFRPNJTTKC-JOCHJYFZSA-N 1 3 424.593 3.636 20 0 HHADHO Cc1ccc(NC(=O)NC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000460348089 982119798 /nfs/dbraw/zinc/11/97/98/982119798.db2.gz OHGNULMKFDOMLA-PMACEKPBSA-N 1 3 422.573 3.698 20 0 HHADHO COc1ccccc1[C@H](C)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460363421 982138324 /nfs/dbraw/zinc/13/83/24/982138324.db2.gz OGTZVJKMBJKVBE-UFYCRDLUSA-N 1 3 409.574 3.619 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947627 982683035 /nfs/dbraw/zinc/68/30/35/982683035.db2.gz SGJPYNOBWDAYGP-WOJBJXKFSA-N 1 3 410.389 3.772 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460950762 982685144 /nfs/dbraw/zinc/68/51/44/982685144.db2.gz SFZFXJDUQUSHIJ-RDABAPPSSA-N 1 3 400.611 3.849 20 0 HHADHO O=C(CNC1(c2ccc(Br)cc2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000438755259 983047988 /nfs/dbraw/zinc/04/79/88/983047988.db2.gz MNFBVZFLDQDHCD-UHFFFAOYSA-N 1 3 420.395 3.551 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429653 983092443 /nfs/dbraw/zinc/09/24/43/983092443.db2.gz NWYYNJZKJBZLQK-LOSJGSFVSA-N 1 3 403.570 3.877 20 0 HHADHO O=C(c1cccc(CN2CCCC2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429653 983092450 /nfs/dbraw/zinc/09/24/50/983092450.db2.gz NWYYNJZKJBZLQK-LOSJGSFVSA-N 1 3 403.570 3.877 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)N2CCCC2)cc1 ZINC000439320155 983363430 /nfs/dbraw/zinc/36/34/30/983363430.db2.gz DAUXNAXQDUELHC-QFIPXVFZSA-N 1 3 414.619 3.967 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000440194384 983678324 /nfs/dbraw/zinc/67/83/24/983678324.db2.gz YMFPHFIEHLBMOJ-YADARESESA-N 1 3 423.605 3.772 20 0 HHADHO Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(OC(C)(C)C)c1 ZINC000440938998 983990074 /nfs/dbraw/zinc/99/00/74/983990074.db2.gz BBYMZLHNZBPGRI-UHFFFAOYSA-N 1 3 416.610 3.530 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC(C)(C)CCc4ccccc43)CC2)CC1 ZINC000441001818 984017849 /nfs/dbraw/zinc/01/78/49/984017849.db2.gz QEHOTOHPPADGQC-QHCPKHFHSA-N 1 3 412.622 3.948 20 0 HHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCN2CCN(C)C(C)(C)C2)o1 ZINC000441330183 984188602 /nfs/dbraw/zinc/18/86/02/984188602.db2.gz FDDUFXBRYFYZPM-UHFFFAOYSA-N 1 3 407.562 3.556 20 0 HHADHO C[NH+](C)CC1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000441616494 984357778 /nfs/dbraw/zinc/35/77/78/984357778.db2.gz VTDDZVSSHQZJRM-GZNCHQMQSA-N 1 3 411.512 3.678 20 0 HHADHO CCNC(=O)N1CC[C@@H](N[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809400 985739756 /nfs/dbraw/zinc/73/97/56/985739756.db2.gz IODACZYDUVPOLD-FGZHOGPDSA-N 1 3 404.574 3.772 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4c3cccc4-c3ccccc3)CC2)CC1 ZINC000468089594 985747818 /nfs/dbraw/zinc/74/78/18/985747818.db2.gz QPYKYPOHEQYJCJ-UHFFFAOYSA-N 1 3 418.585 3.984 20 0 HHADHO Cc1nc2ccc(Br)cc2c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000462917662 985851150 /nfs/dbraw/zinc/85/11/50/985851150.db2.gz XDJHPYWQBQAZLV-HXUWFJFHSA-N 1 3 419.411 3.720 20 0 HHADHO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCN(CCc4ccccc4)CC3)c2)CCO1 ZINC000463080857 986039193 /nfs/dbraw/zinc/03/91/93/986039193.db2.gz GZDCDLQHKMQZFD-JOCHJYFZSA-N 1 3 407.602 3.704 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CNC3CC[NH+](CCc4ccccc4)CC3)c2)CCO1 ZINC000463080857 986039204 /nfs/dbraw/zinc/03/92/04/986039204.db2.gz GZDCDLQHKMQZFD-JOCHJYFZSA-N 1 3 407.602 3.704 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115170 986078669 /nfs/dbraw/zinc/07/86/69/986078669.db2.gz KKKCSNDYGXHOKD-RDPSFJRHSA-N 1 3 423.601 3.705 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115170 986078675 /nfs/dbraw/zinc/07/86/75/986078675.db2.gz KKKCSNDYGXHOKD-RDPSFJRHSA-N 1 3 423.601 3.705 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272793 986240152 /nfs/dbraw/zinc/24/01/52/986240152.db2.gz UITXOFSDLUFHFI-PXDATVDWSA-N 1 3 420.601 3.813 20 0 HHADHO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000468710282 986425672 /nfs/dbraw/zinc/42/56/72/986425672.db2.gz SLVAGXANCIAWFN-UHFFFAOYSA-N 1 3 410.468 3.729 20 0 HHADHO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](CCCN2CCCCC2)CC1 ZINC000444608715 986795408 /nfs/dbraw/zinc/79/54/08/986795408.db2.gz MDVOOVSFZOMLQC-UHFFFAOYSA-N 1 3 400.485 3.831 20 0 HHADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719350 986893376 /nfs/dbraw/zinc/89/33/76/986893376.db2.gz QSIKBQNPTBOQHK-PKTZIBPZSA-N 1 3 410.606 3.844 20 0 HHADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719350 986893386 /nfs/dbraw/zinc/89/33/86/986893386.db2.gz QSIKBQNPTBOQHK-PKTZIBPZSA-N 1 3 410.606 3.844 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)CC2)CC1 ZINC000444860733 987017689 /nfs/dbraw/zinc/01/76/89/987017689.db2.gz OKQJNKJLHBRECU-UHFFFAOYSA-N 1 3 400.567 3.596 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000469566065 987235581 /nfs/dbraw/zinc/23/55/81/987235581.db2.gz YVCDWSVQGQXBGU-QHCPKHFHSA-N 1 3 400.611 3.849 20 0 HHADHO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469764593 987417089 /nfs/dbraw/zinc/41/70/89/987417089.db2.gz OQXIUPKTEAUYOK-ACRUOGEOSA-N 1 3 423.601 3.961 20 0 HHADHO Cc1cccc(NC(=O)NC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1C ZINC000469775334 987425728 /nfs/dbraw/zinc/42/57/28/987425728.db2.gz KRUQHSAWVHPYRP-RTBURBONSA-N 1 3 422.573 3.698 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674340 988698017 /nfs/dbraw/zinc/69/80/17/988698017.db2.gz LEPHVDHKGVVDPB-RUZDIDTESA-N 1 3 420.601 3.565 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000470674340 988698023 /nfs/dbraw/zinc/69/80/23/988698023.db2.gz LEPHVDHKGVVDPB-RUZDIDTESA-N 1 3 420.601 3.565 20 0 HHADHO CC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000470721999 988747910 /nfs/dbraw/zinc/74/79/10/988747910.db2.gz FBBGGWJIURTQAL-YKSBVNFPSA-N 1 3 412.622 3.770 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000470731333 988763236 /nfs/dbraw/zinc/76/32/36/988763236.db2.gz DSJIULXPIVWWME-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000470731333 988763240 /nfs/dbraw/zinc/76/32/40/988763240.db2.gz DSJIULXPIVWWME-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470743596 988782354 /nfs/dbraw/zinc/78/23/54/988782354.db2.gz CPDUMYKGEBUNSE-GMAHTHKFSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470743596 988782365 /nfs/dbraw/zinc/78/23/65/988782365.db2.gz CPDUMYKGEBUNSE-GMAHTHKFSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747939 988788376 /nfs/dbraw/zinc/78/83/76/988788376.db2.gz UKQXWDFRKSKVLV-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470747939 988788388 /nfs/dbraw/zinc/78/83/88/988788388.db2.gz UKQXWDFRKSKVLV-FYYLOGMGSA-N 1 3 400.611 3.805 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](CCSc2ccccc2)CC1)Cc1ccccc1 ZINC000471220972 989364468 /nfs/dbraw/zinc/36/44/68/989364468.db2.gz POXHBUIMYKIWOD-UHFFFAOYSA-N 1 3 411.615 3.739 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](CCOC2CCCCCC2)CC1)Cc1ccccc1 ZINC000471230437 989374795 /nfs/dbraw/zinc/37/47/95/989374795.db2.gz QVRADNOQSDWZSS-UHFFFAOYSA-N 1 3 415.622 3.686 20 0 HHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000465419436 989765338 /nfs/dbraw/zinc/76/53/38/989765338.db2.gz FUFMKLCQWSDIFG-LOSJGSFVSA-N 1 3 422.617 3.713 20 0 HHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000465419436 989765346 /nfs/dbraw/zinc/76/53/46/989765346.db2.gz FUFMKLCQWSDIFG-LOSJGSFVSA-N 1 3 422.617 3.713 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459412 989799725 /nfs/dbraw/zinc/79/97/25/989799725.db2.gz UKHKTGQGEMODAN-SFHLNBCPSA-N 1 3 400.592 3.733 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000465459412 989799732 /nfs/dbraw/zinc/79/97/32/989799732.db2.gz UKHKTGQGEMODAN-SFHLNBCPSA-N 1 3 400.592 3.733 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729378 989925097 /nfs/dbraw/zinc/92/50/97/989925097.db2.gz UQVJCABBBOOADP-BKULYWANSA-N 1 3 406.574 3.643 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729378 989925113 /nfs/dbraw/zinc/92/51/13/989925113.db2.gz UQVJCABBBOOADP-BKULYWANSA-N 1 3 406.574 3.643 20 0 HHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471858754 990031046 /nfs/dbraw/zinc/03/10/46/990031046.db2.gz SUOUIAPNPQFBBY-XBMUEBEBSA-N 1 3 418.548 3.746 20 0 HHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471858754 990031054 /nfs/dbraw/zinc/03/10/54/990031054.db2.gz SUOUIAPNPQFBBY-XBMUEBEBSA-N 1 3 418.548 3.746 20 0 HHADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472047167 990215360 /nfs/dbraw/zinc/21/53/60/990215360.db2.gz DQSUPEPCMDYWMN-XBMUEBEBSA-N 1 3 418.548 3.601 20 0 HHADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472047167 990215373 /nfs/dbraw/zinc/21/53/73/990215373.db2.gz DQSUPEPCMDYWMN-XBMUEBEBSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000465883457 991005863 /nfs/dbraw/zinc/00/58/63/991005863.db2.gz ZUNVIWXRDUZWCS-FGZHOGPDSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H](CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000465883457 991005870 /nfs/dbraw/zinc/00/58/70/991005870.db2.gz ZUNVIWXRDUZWCS-FGZHOGPDSA-N 1 3 408.590 3.813 20 0 HHADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073880 991247020 /nfs/dbraw/zinc/24/70/20/991247020.db2.gz FLFWDCXWNFMOCO-AZUAARDMSA-N 1 3 406.640 3.894 20 0 HHADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000466073880 991247027 /nfs/dbraw/zinc/24/70/27/991247027.db2.gz FLFWDCXWNFMOCO-AZUAARDMSA-N 1 3 406.640 3.894 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2ccccc2OC(F)(F)F)(N2CCCCC2)CC1 ZINC000466150239 991334255 /nfs/dbraw/zinc/33/42/55/991334255.db2.gz WLUHIEZRRDRBBG-UHFFFAOYSA-N 1 3 414.472 3.657 20 0 HHADHO COc1cc(Cl)c(C)cc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000466157596 991345486 /nfs/dbraw/zinc/34/54/86/991345486.db2.gz NKPLMMQBFFPHOK-UHFFFAOYSA-N 1 3 408.974 3.729 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466224017 991443723 /nfs/dbraw/zinc/44/37/23/991443723.db2.gz YRHPQBYZZKGBLS-PXDATVDWSA-N 1 3 420.601 3.656 20 0 HHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466295928 991546758 /nfs/dbraw/zinc/54/67/58/991546758.db2.gz FFUVQMPNKQWQGW-NRFANRHFSA-N 1 3 407.002 3.678 20 0 HHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466295928 991546771 /nfs/dbraw/zinc/54/67/71/991546771.db2.gz FFUVQMPNKQWQGW-NRFANRHFSA-N 1 3 407.002 3.678 20 0 HHADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000467544711 992824302 /nfs/dbraw/zinc/82/43/02/992824302.db2.gz XAGXZXXPFFYMGD-QFIPXVFZSA-N 1 3 420.601 3.541 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c(C)c2)CC1 ZINC000467778471 993017499 /nfs/dbraw/zinc/01/74/99/993017499.db2.gz WPHNRUKCBVAZNJ-UHFFFAOYSA-N 1 3 403.615 3.767 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000480773707 993639487 /nfs/dbraw/zinc/63/94/87/993639487.db2.gz KGIHAEHYQUOABL-LJQANCHMSA-N 1 3 402.583 3.944 20 0 HHADHO Cc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780543 993647332 /nfs/dbraw/zinc/64/73/32/993647332.db2.gz QUMRUYGVYHDMHN-HRNNMHKYSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780543 993647339 /nfs/dbraw/zinc/64/73/39/993647339.db2.gz QUMRUYGVYHDMHN-HRNNMHKYSA-N 1 3 407.602 3.869 20 0 HHADHO COc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1OC(F)F ZINC000480899698 993757136 /nfs/dbraw/zinc/75/71/36/993757136.db2.gz LMNXVINQGLSOJJ-QGZVFWFLSA-N 1 3 419.516 3.895 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000480904692 993761430 /nfs/dbraw/zinc/76/14/30/993761430.db2.gz YITSPHCBWNHDQD-SIKLNZKXSA-N 1 3 410.562 3.561 20 0 HHADHO CC[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674036 994533961 /nfs/dbraw/zinc/53/39/61/994533961.db2.gz VKQHTYJEMFGUPE-SJLPKXTDSA-N 1 3 404.020 3.655 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CC3(CSc4ccccc4)CC3)CC2)CC1 ZINC000473728008 994623160 /nfs/dbraw/zinc/62/31/60/994623160.db2.gz BFLJFSHDXCDEGQ-UHFFFAOYSA-N 1 3 401.620 3.624 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820036 994748841 /nfs/dbraw/zinc/74/88/41/994748841.db2.gz IKQZPDDEBWNKGC-PMACEKPBSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820036 994748849 /nfs/dbraw/zinc/74/88/49/994748849.db2.gz IKQZPDDEBWNKGC-PMACEKPBSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000473832732 994763854 /nfs/dbraw/zinc/76/38/54/994763854.db2.gz CAECQWQMKIBXNZ-UHFFFAOYSA-N 1 3 421.589 3.615 20 0 HHADHO CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000482260441 995238440 /nfs/dbraw/zinc/23/84/40/995238440.db2.gz IFGBOPFHHXVUKV-FQEVSTJZSA-N 1 3 418.379 3.981 20 0 HHADHO CCCOc1ccc(C(C)(C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000474244644 995242590 /nfs/dbraw/zinc/24/25/90/995242590.db2.gz AKFHOFMOJUKOGD-UHFFFAOYSA-N 1 3 416.610 3.568 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474466226 995428287 /nfs/dbraw/zinc/42/82/87/995428287.db2.gz ZNDBCOQIPUJRNN-ZDUSSCGKSA-N 1 3 408.306 3.584 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000482492665 995503463 /nfs/dbraw/zinc/50/34/63/995503463.db2.gz VNAMXIZFEQBIJK-UHFFFAOYSA-N 1 3 422.621 3.526 20 0 HHADHO CCO[C@@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000482513886 995524564 /nfs/dbraw/zinc/52/45/64/995524564.db2.gz UEHAREJSJPGEHM-ARMFNRFLSA-N 1 3 423.601 3.932 20 0 HHADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000482541927 995549816 /nfs/dbraw/zinc/54/98/16/995549816.db2.gz HPPUVCWPMSTURQ-NQIIRXRSSA-N 1 3 413.537 3.643 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475138118 995946851 /nfs/dbraw/zinc/94/68/51/995946851.db2.gz MBZHKUCBDXBPPK-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000483133347 995995033 /nfs/dbraw/zinc/99/50/33/995995033.db2.gz HSJNFYRIZKMHSC-ZWKOTPCHSA-N 1 3 401.576 3.934 20 0 HHADHO CN(C)Cc1cccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000483845809 996423008 /nfs/dbraw/zinc/42/30/08/996423008.db2.gz AYEDJHPBFOEKEA-UHFFFAOYSA-N 1 3 424.589 3.941 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000485220680 997594883 /nfs/dbraw/zinc/59/48/83/997594883.db2.gz RHLOLPNKESKIKG-XMMPIXPASA-N 1 3 424.589 3.509 20 0 HHADHO Cc1cc(NC2CCN(Cc3cccnc3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477868615 998618125 /nfs/dbraw/zinc/61/81/25/998618125.db2.gz WHSNAGPYENZOPM-UHFFFAOYSA-N 1 3 407.606 3.997 20 0 HHADHO Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000486567139 998830325 /nfs/dbraw/zinc/83/03/25/998830325.db2.gz PBFAVNPNZAIKAQ-XMSQKQJNSA-N 1 3 406.530 3.957 20 0 HHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000479358858 999402442 /nfs/dbraw/zinc/40/24/42/999402442.db2.gz MDXPQPPFMKVAPA-UHFFFAOYSA-N 1 3 412.578 3.785 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564329 999529455 /nfs/dbraw/zinc/52/94/55/999529455.db2.gz WSWSAXMBFHUAFX-HWIPXOPOSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564329 999529458 /nfs/dbraw/zinc/52/94/58/999529458.db2.gz WSWSAXMBFHUAFX-HWIPXOPOSA-N 1 3 420.601 3.859 20 0 HHADHO c1csc([C@H]2CCCN(CCOCC[N@@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646911 999556939 /nfs/dbraw/zinc/55/69/39/999556939.db2.gz QOSSYYZEFKLDCS-ROUUACIJSA-N 1 3 406.621 3.675 20 0 HHADHO c1csc([C@H]2CCCN(CCOCC[N@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646911 999556942 /nfs/dbraw/zinc/55/69/42/999556942.db2.gz QOSSYYZEFKLDCS-ROUUACIJSA-N 1 3 406.621 3.675 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666277 999564463 /nfs/dbraw/zinc/56/44/63/999564463.db2.gz FKFNWZJMONFZBH-XUZZJYLKSA-N 1 3 420.601 3.782 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2)CC1 ZINC000488666277 999564464 /nfs/dbraw/zinc/56/44/64/999564464.db2.gz FKFNWZJMONFZBH-XUZZJYLKSA-N 1 3 420.601 3.782 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)c2ccccc21 ZINC000489274007 999734876 /nfs/dbraw/zinc/73/48/76/999734876.db2.gz BZTBWINOTDCXFY-QGZVFWFLSA-N 1 3 412.553 3.898 20 0 HHADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489430286 999765902 /nfs/dbraw/zinc/76/59/02/999765902.db2.gz GRDODQKTCQKTIN-QHAWAJNXSA-N 1 3 400.611 3.659 20 0 HHADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489430286 999765904 /nfs/dbraw/zinc/76/59/04/999765904.db2.gz GRDODQKTCQKTIN-QHAWAJNXSA-N 1 3 400.611 3.659 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489774037 999835585 /nfs/dbraw/zinc/83/55/85/999835585.db2.gz GINZFMGATFZCQT-RTBURBONSA-N 1 3 414.516 3.651 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000489847294 999848666 /nfs/dbraw/zinc/84/86/66/999848666.db2.gz ZEFFQXHIABDFBD-UKILVPOCSA-N 1 3 420.601 3.687 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000489847294 999848668 /nfs/dbraw/zinc/84/86/68/999848668.db2.gz ZEFFQXHIABDFBD-UKILVPOCSA-N 1 3 420.601 3.687 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489895434 999857455 /nfs/dbraw/zinc/85/74/55/999857455.db2.gz BSMGMKKVJHXSCR-NRFANRHFSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489895434 999857458 /nfs/dbraw/zinc/85/74/58/999857458.db2.gz BSMGMKKVJHXSCR-NRFANRHFSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426257 1000126495 /nfs/dbraw/zinc/12/64/95/1000126495.db2.gz UZDOIIVCVZGAHK-SDUSCBPUSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426257 1000126497 /nfs/dbraw/zinc/12/64/97/1000126497.db2.gz UZDOIIVCVZGAHK-SDUSCBPUSA-N 1 3 420.601 3.513 20 0 HHADHO Cc1nc2ccc(CNCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2s1 ZINC000494028881 1000276134 /nfs/dbraw/zinc/27/61/34/1000276134.db2.gz TYNYYUZVFVRIIA-HXUWFJFHSA-N 1 3 408.571 3.592 20 0 HHADHO Cc1nc2ccc(CNCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2s1 ZINC000494028881 1000276136 /nfs/dbraw/zinc/27/61/36/1000276136.db2.gz TYNYYUZVFVRIIA-HXUWFJFHSA-N 1 3 408.571 3.592 20 0 HHADHO C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494566754 1000557651 /nfs/dbraw/zinc/55/76/51/1000557651.db2.gz WUDRZKWEMOIAEU-XUZZJYLKSA-N 1 3 415.622 3.542 20 0 HHADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000506016051 1001164668 /nfs/dbraw/zinc/16/46/68/1001164668.db2.gz CMIQRRJDOIHYQW-OAQYLSRUSA-N 1 3 401.501 3.522 20 0 HHADHO Cc1sc2nc([C@H](C)N3CCC(CCC[NH+]4CCOCC4)CC3)nc(N)c2c1C ZINC000506032626 1001177666 /nfs/dbraw/zinc/17/76/66/1001177666.db2.gz RDUFLKXVCBJRHF-INIZCTEOSA-N 1 3 417.623 3.776 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)N(C)C)cc1 ZINC000506621464 1001474005 /nfs/dbraw/zinc/47/40/05/1001474005.db2.gz RPMPCQHXDMOPLX-GIWBLDEGSA-N 1 3 400.611 3.894 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)N(C)C)cc1 ZINC000506621464 1001474008 /nfs/dbraw/zinc/47/40/08/1001474008.db2.gz RPMPCQHXDMOPLX-GIWBLDEGSA-N 1 3 400.611 3.894 20 0 HHADHO CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1N(C)C ZINC000497656991 1001474942 /nfs/dbraw/zinc/47/49/42/1001474942.db2.gz KLSXOLUGDMSCJK-LEWJYISDSA-N 1 3 404.624 3.960 20 0 HHADHO CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1N(C)C ZINC000497656991 1001474946 /nfs/dbraw/zinc/47/49/46/1001474946.db2.gz KLSXOLUGDMSCJK-LEWJYISDSA-N 1 3 404.624 3.960 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000506742158 1001510728 /nfs/dbraw/zinc/51/07/28/1001510728.db2.gz DIRZQTDMYCXXKA-UHFFFAOYSA-N 1 3 418.589 3.641 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000498031329 1001613670 /nfs/dbraw/zinc/61/36/70/1001613670.db2.gz VFXJYNMFKMHWMY-RXVVDRJESA-N 1 3 418.607 3.888 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000498031329 1001613673 /nfs/dbraw/zinc/61/36/73/1001613673.db2.gz VFXJYNMFKMHWMY-RXVVDRJESA-N 1 3 418.607 3.888 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507510914 1002121737 /nfs/dbraw/zinc/12/17/37/1002121737.db2.gz NNJOIVNWZDXVBS-UODIDJSMSA-N 1 3 413.565 3.897 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507510914 1002121741 /nfs/dbraw/zinc/12/17/41/1002121741.db2.gz NNJOIVNWZDXVBS-UODIDJSMSA-N 1 3 413.565 3.897 20 0 HHADHO Cc1cc(NC(=O)CC[NH+]2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000507928917 1002462027 /nfs/dbraw/zinc/46/20/27/1002462027.db2.gz GCYVBCXDVCKYDZ-UHFFFAOYSA-N 1 3 424.467 3.927 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102066 1002493110 /nfs/dbraw/zinc/49/31/10/1002493110.db2.gz QDSWICGKVVXSLQ-YGOYIFOWSA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000499102066 1002493114 /nfs/dbraw/zinc/49/31/14/1002493114.db2.gz QDSWICGKVVXSLQ-YGOYIFOWSA-N 1 3 424.589 3.508 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114483 1002503955 /nfs/dbraw/zinc/50/39/55/1002503955.db2.gz XVFJKMLFMYZYNP-BLKABHOGSA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114483 1002503961 /nfs/dbraw/zinc/50/39/61/1002503961.db2.gz XVFJKMLFMYZYNP-BLKABHOGSA-N 1 3 412.578 3.919 20 0 HHADHO Fc1cccc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139406 1002523986 /nfs/dbraw/zinc/52/39/86/1002523986.db2.gz OXBNAPADZGLAIV-XDZVQPMWSA-N 1 3 423.576 3.984 20 0 HHADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221130 1002607053 /nfs/dbraw/zinc/60/70/53/1002607053.db2.gz CYASOIIQNAEJGW-STAKNXPZSA-N 1 3 418.629 3.982 20 0 HHADHO C[C@H](CN1CCN(c2ccccc2)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221130 1002607063 /nfs/dbraw/zinc/60/70/63/1002607063.db2.gz CYASOIIQNAEJGW-STAKNXPZSA-N 1 3 418.629 3.982 20 0 HHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662562 1003021595 /nfs/dbraw/zinc/02/15/95/1003021595.db2.gz HOOIPNQLGHPVAH-ZJSXRUAMSA-N 1 3 404.602 3.724 20 0 HHADHO CCSc1ccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000508563721 1003032196 /nfs/dbraw/zinc/03/21/96/1003032196.db2.gz MEADOINIDMSUCX-QGZVFWFLSA-N 1 3 404.624 3.717 20 0 HHADHO Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722062 1003162805 /nfs/dbraw/zinc/16/28/05/1003162805.db2.gz WQANDVKOUVANGP-DFCKQENNSA-N 1 3 407.602 3.869 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874918 1003294696 /nfs/dbraw/zinc/29/46/96/1003294696.db2.gz VMXODEHPRJDQAM-YFXJRYMSSA-N 1 3 412.578 3.597 20 0 HHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+](C)C ZINC000508875265 1003294838 /nfs/dbraw/zinc/29/48/38/1003294838.db2.gz BVOGYZCJBOSYKV-WTNAPCKOSA-N 1 3 400.542 3.727 20 0 HHADHO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508897645 1003329321 /nfs/dbraw/zinc/32/93/21/1003329321.db2.gz OHIDZQXMIVMMGF-CVJWPJSTSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508897645 1003329331 /nfs/dbraw/zinc/32/93/31/1003329331.db2.gz OHIDZQXMIVMMGF-CVJWPJSTSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000508906763 1003344432 /nfs/dbraw/zinc/34/44/32/1003344432.db2.gz OHENNLFGMQDVDK-ADYITMSISA-N 1 3 400.611 3.974 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H](c1ccccc1)N(C)C ZINC000508906763 1003344421 /nfs/dbraw/zinc/34/44/21/1003344421.db2.gz OHENNLFGMQDVDK-ADYITMSISA-N 1 3 400.611 3.974 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)N(C)C)cc1 ZINC000500131219 1003491879 /nfs/dbraw/zinc/49/18/79/1003491879.db2.gz HOZSCSJCSRCUQF-XMMPIXPASA-N 1 3 408.590 3.947 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594395 1003967993 /nfs/dbraw/zinc/96/79/93/1003967993.db2.gz FDGJDCUMBYRMJH-BVSLBCMMSA-N 1 3 412.578 3.872 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594395 1003968004 /nfs/dbraw/zinc/96/80/04/1003968004.db2.gz FDGJDCUMBYRMJH-BVSLBCMMSA-N 1 3 412.578 3.872 20 0 HHADHO Cc1nc(-c2cc3c(s2)CCN(CCCN2CC[NH+](C(C)C)CC2)C3)cs1 ZINC000500993250 1004099811 /nfs/dbraw/zinc/09/98/11/1004099811.db2.gz PVZVEIHUQPDQPM-UHFFFAOYSA-N 1 3 404.649 3.954 20 0 HHADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036328 1004139049 /nfs/dbraw/zinc/13/90/49/1004139049.db2.gz YOEVJPNGUPPXIN-OAQYLSRUSA-N 1 3 412.603 3.827 20 0 HHADHO CN(CC(=O)NCC1(c2ccccc2)CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501035485 1004139071 /nfs/dbraw/zinc/13/90/71/1004139071.db2.gz ALGSRAVHIVSZCE-UHFFFAOYSA-N 1 3 420.601 3.858 20 0 HHADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053392 1004156459 /nfs/dbraw/zinc/15/64/59/1004156459.db2.gz NJZIWMLAVNXLTQ-SFHVURJKSA-N 1 3 403.530 3.805 20 0 HHADHO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501060651 1004162519 /nfs/dbraw/zinc/16/25/19/1004162519.db2.gz BPZQAZDKOPNZMC-MRXNPFEDSA-N 1 3 416.953 3.919 20 0 HHADHO O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279226 1004180155 /nfs/dbraw/zinc/18/01/55/1004180155.db2.gz RVVYATSJDVNUNV-NZQKXSOJSA-N 1 3 400.950 3.678 20 0 HHADHO O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279226 1004180161 /nfs/dbraw/zinc/18/01/61/1004180161.db2.gz RVVYATSJDVNUNV-NZQKXSOJSA-N 1 3 400.950 3.678 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000501086027 1004190828 /nfs/dbraw/zinc/19/08/28/1004190828.db2.gz UWKKSWLUTBNBAF-REWPJTCUSA-N 1 3 421.589 3.602 20 0 HHADHO C[C@H](C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)CN1CCCCC1 ZINC000510029428 1004276871 /nfs/dbraw/zinc/27/68/71/1004276871.db2.gz MESJQPACJXCVLY-KMFTYDHNSA-N 1 3 422.013 3.858 20 0 HHADHO C[C@H]1C[C@@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000512413265 1004280417 /nfs/dbraw/zinc/28/04/17/1004280417.db2.gz USADKKCDAVUDDX-RBBKRZOGSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H]1C[C@@H](CCNC(=O)N(CCN(C)C)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000512413265 1004280427 /nfs/dbraw/zinc/28/04/27/1004280427.db2.gz USADKKCDAVUDDX-RBBKRZOGSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386034 1004381951 /nfs/dbraw/zinc/38/19/51/1004381951.db2.gz OSAKFSIFBSQEAN-KXTAGPOFSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386034 1004381956 /nfs/dbraw/zinc/38/19/56/1004381956.db2.gz OSAKFSIFBSQEAN-KXTAGPOFSA-N 1 3 420.601 3.859 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387588 1004383686 /nfs/dbraw/zinc/38/36/86/1004383686.db2.gz IADCSYLSISTWLD-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387588 1004383700 /nfs/dbraw/zinc/38/37/00/1004383700.db2.gz IADCSYLSISTWLD-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO CC[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000501406684 1004397324 /nfs/dbraw/zinc/39/73/24/1004397324.db2.gz PLHYNBBCAHPCAN-VWLOTQADSA-N 1 3 420.601 3.919 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000510330632 1004487071 /nfs/dbraw/zinc/48/70/71/1004487071.db2.gz YQMNKZREVJPSKF-UHFFFAOYSA-N 1 3 420.601 3.744 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000501533512 1004496671 /nfs/dbraw/zinc/49/66/71/1004496671.db2.gz AROXWEFMDFLEPE-OAQYLSRUSA-N 1 3 416.928 3.828 20 0 HHADHO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534270 1004497720 /nfs/dbraw/zinc/49/77/20/1004497720.db2.gz CTXOECNLZOABMX-WOJBJXKFSA-N 1 3 406.574 3.986 20 0 HHADHO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534269 1004497761 /nfs/dbraw/zinc/49/77/61/1004497761.db2.gz CTXOECNLZOABMX-VQTJNVASSA-N 1 3 406.574 3.986 20 0 HHADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501536197 1004498545 /nfs/dbraw/zinc/49/85/45/1004498545.db2.gz PSNRCKCJTLZCJG-HXUWFJFHSA-N 1 3 421.010 3.968 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)cc2)CC1 ZINC000510383914 1004525400 /nfs/dbraw/zinc/52/54/00/1004525400.db2.gz HRFGEYCNTSYNPA-UHFFFAOYSA-N 1 3 408.590 3.599 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cc2)CC1 ZINC000510383914 1004525405 /nfs/dbraw/zinc/52/54/05/1004525405.db2.gz HRFGEYCNTSYNPA-UHFFFAOYSA-N 1 3 408.590 3.599 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000512831081 1004589234 /nfs/dbraw/zinc/58/92/34/1004589234.db2.gz FDALZVWVINZHLK-JTHBVZDNSA-N 1 3 416.610 3.736 20 0 HHADHO FC(F)OC[C@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831312 1004589354 /nfs/dbraw/zinc/58/93/54/1004589354.db2.gz BXSXFZAZCTUVHN-ROUUACIJSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](COC(F)F)C3)c2)C1 ZINC000512831312 1004589361 /nfs/dbraw/zinc/58/93/61/1004589361.db2.gz BXSXFZAZCTUVHN-ROUUACIJSA-N 1 3 404.448 3.809 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cc2ccccc2)CC1 ZINC000501809164 1004749907 /nfs/dbraw/zinc/74/99/07/1004749907.db2.gz HUXPHGWBCCUSOH-VWLOTQADSA-N 1 3 405.586 3.783 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000501885265 1004795634 /nfs/dbraw/zinc/79/56/34/1004795634.db2.gz FUDVOTNFPZWBGO-UHFFFAOYSA-N 1 3 408.590 3.599 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000501885265 1004795639 /nfs/dbraw/zinc/79/56/39/1004795639.db2.gz FUDVOTNFPZWBGO-UHFFFAOYSA-N 1 3 408.590 3.599 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3c2cccc3Br)C1 ZINC000513449681 1004972114 /nfs/dbraw/zinc/97/21/14/1004972114.db2.gz ZKBQZKNQHFGMKK-UTKZUKDTSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3c2cccc3Br)C1 ZINC000513449681 1004972119 /nfs/dbraw/zinc/97/21/19/1004972119.db2.gz ZKBQZKNQHFGMKK-UTKZUKDTSA-N 1 3 401.348 3.793 20 0 HHADHO O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000510999728 1004973740 /nfs/dbraw/zinc/97/37/40/1004973740.db2.gz NQGVUDIIEFOPFZ-AYVPJYCDSA-N 1 3 404.558 3.793 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252661 1005092752 /nfs/dbraw/zinc/09/27/52/1005092752.db2.gz YKKNWQLILJADMG-RTBURBONSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252661 1005092756 /nfs/dbraw/zinc/09/27/56/1005092756.db2.gz YKKNWQLILJADMG-RTBURBONSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266316 1005098267 /nfs/dbraw/zinc/09/82/67/1005098267.db2.gz DEQCDJNKJXRVJH-PKOBYXMFSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266316 1005098270 /nfs/dbraw/zinc/09/82/70/1005098270.db2.gz DEQCDJNKJXRVJH-PKOBYXMFSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267517 1005098449 /nfs/dbraw/zinc/09/84/49/1005098449.db2.gz IWNNZVORNUTGHO-AZUAARDMSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267517 1005098455 /nfs/dbraw/zinc/09/84/55/1005098455.db2.gz IWNNZVORNUTGHO-AZUAARDMSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1=CC[N@H+](C)CC1 ZINC000511291875 1005110834 /nfs/dbraw/zinc/11/08/34/1005110834.db2.gz WJNPJAUHEFZHFI-QGZVFWFLSA-N 1 3 404.986 3.502 20 0 HHADHO C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1=CC[N@@H+](C)CC1 ZINC000511291875 1005110837 /nfs/dbraw/zinc/11/08/37/1005110837.db2.gz WJNPJAUHEFZHFI-QGZVFWFLSA-N 1 3 404.986 3.502 20 0 HHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCc3c2cccc3Br)c1 ZINC000513859798 1005162443 /nfs/dbraw/zinc/16/24/43/1005162443.db2.gz PWMQTKVBJPOJPI-HXUWFJFHSA-N 1 3 416.363 3.518 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000511505719 1005204215 /nfs/dbraw/zinc/20/42/15/1005204215.db2.gz FCLFKLVIRXNGPQ-RTWAWAEBSA-N 1 3 405.533 3.621 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(CCN(C)C)Cc3ccc(F)cc3)CC2)CC1 ZINC000502770245 1005209967 /nfs/dbraw/zinc/20/99/67/1005209967.db2.gz ZLIHSVKLOICRLV-UHFFFAOYSA-N 1 3 418.601 3.942 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502847631 1005242917 /nfs/dbraw/zinc/24/29/17/1005242917.db2.gz UAKCRTWUFMQCRQ-HXUWFJFHSA-N 1 3 400.611 3.777 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000502847631 1005242919 /nfs/dbraw/zinc/24/29/19/1005242919.db2.gz UAKCRTWUFMQCRQ-HXUWFJFHSA-N 1 3 400.611 3.777 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000502876859 1005254753 /nfs/dbraw/zinc/25/47/53/1005254753.db2.gz OUXAFMGAYVMMRK-NFBKMPQASA-N 1 3 416.610 3.643 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000502876859 1005254758 /nfs/dbraw/zinc/25/47/58/1005254758.db2.gz OUXAFMGAYVMMRK-NFBKMPQASA-N 1 3 416.610 3.643 20 0 HHADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000514181907 1005301132 /nfs/dbraw/zinc/30/11/32/1005301132.db2.gz GPSAMFLTAXXQFT-HXUWFJFHSA-N 1 3 406.640 3.942 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)N(C)C)cc1 ZINC000503349638 1005395548 /nfs/dbraw/zinc/39/55/48/1005395548.db2.gz WJZFASCUDPGJFX-JTHBVZDNSA-N 1 3 400.611 3.895 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503392760 1005406378 /nfs/dbraw/zinc/40/63/78/1005406378.db2.gz QDSIGBJIVQMLKK-JOCHJYFZSA-N 1 3 412.622 3.732 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000504435132 1005628223 /nfs/dbraw/zinc/62/82/23/1005628223.db2.gz HKUJTAUFHPWOHB-OAQYLSRUSA-N 1 3 423.605 3.729 20 0 HHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000504435132 1005628224 /nfs/dbraw/zinc/62/82/24/1005628224.db2.gz HKUJTAUFHPWOHB-OAQYLSRUSA-N 1 3 423.605 3.729 20 0 HHADHO CC[C@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)N1CCc2ccccc2C1 ZINC000531446251 1006202121 /nfs/dbraw/zinc/20/21/21/1006202121.db2.gz DMWDRDOMEBCVLS-HSZRJFAPSA-N 1 3 406.574 3.560 20 0 HHADHO CN(c1ccccc1CNCc1ccc(CN2CCCC2=O)cc1)C1CC[NH+](C)CC1 ZINC000531598005 1006296091 /nfs/dbraw/zinc/29/60/91/1006296091.db2.gz VRQZJRCTFBAMIJ-UHFFFAOYSA-N 1 3 420.601 3.629 20 0 HHADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000531683487 1006352440 /nfs/dbraw/zinc/35/24/40/1006352440.db2.gz LOPVJYSPPYPDFX-JOCHJYFZSA-N 1 3 422.617 3.745 20 0 HHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000531703907 1006366693 /nfs/dbraw/zinc/36/66/93/1006366693.db2.gz JMLOIMXVBCKKHL-INIZCTEOSA-N 1 3 413.484 3.657 20 0 HHADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)CC1 ZINC000534408910 1006384405 /nfs/dbraw/zinc/38/44/05/1006384405.db2.gz FBBHZMWNRFFNTQ-UNMCSNQZSA-N 1 3 423.523 3.631 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(Cn3cccn3)cc2)CC1 ZINC000531785804 1006426659 /nfs/dbraw/zinc/42/66/59/1006426659.db2.gz MKVFJLSYEOTRFG-UHFFFAOYSA-N 1 3 403.574 3.753 20 0 HHADHO COCC[N@H+](C)CCOc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000531965653 1006550410 /nfs/dbraw/zinc/55/04/10/1006550410.db2.gz KLWJQIBRQJUSAI-HSZRJFAPSA-N 1 3 400.588 3.764 20 0 HHADHO COCC[N@@H+](C)CCOc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000531965653 1006550420 /nfs/dbraw/zinc/55/04/20/1006550420.db2.gz KLWJQIBRQJUSAI-HSZRJFAPSA-N 1 3 400.588 3.764 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]Cc2ccccc2-c2cnn(C)c2)CC1 ZINC000534647532 1006626939 /nfs/dbraw/zinc/62/69/39/1006626939.db2.gz KFRGPBHTPVUSOT-UHFFFAOYSA-N 1 3 403.574 3.909 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534683484 1006663723 /nfs/dbraw/zinc/66/37/23/1006663723.db2.gz VJOYCUNBAZSISJ-QLBJFCOMSA-N 1 3 420.601 3.985 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534683484 1006663729 /nfs/dbraw/zinc/66/37/29/1006663729.db2.gz VJOYCUNBAZSISJ-QLBJFCOMSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183868 1006703436 /nfs/dbraw/zinc/70/34/36/1006703436.db2.gz UGBFYTOOXIBSIW-URXFXBBRSA-N 1 3 412.622 3.797 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183868 1006703443 /nfs/dbraw/zinc/70/34/43/1006703443.db2.gz UGBFYTOOXIBSIW-URXFXBBRSA-N 1 3 412.622 3.797 20 0 HHADHO CC(C)N1CCC([NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000532195390 1006712791 /nfs/dbraw/zinc/71/27/91/1006712791.db2.gz PXAWNZYLNGGYOE-UHFFFAOYSA-N 1 3 412.544 3.680 20 0 HHADHO FC(F)(F)c1ccc([C@@H](C[NH2+]C2CCN(CC3CC3)CC2)N2CCOCC2)cc1 ZINC000532219141 1006729552 /nfs/dbraw/zinc/72/95/52/1006729552.db2.gz TWBLRIMGOBQUIR-OAQYLSRUSA-N 1 3 411.512 3.543 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000538499165 1006767792 /nfs/dbraw/zinc/76/77/92/1006767792.db2.gz XXAYUTXMSXKFIY-JOCHJYFZSA-N 1 3 408.590 3.596 20 0 HHADHO COc1ccc([C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)cc1 ZINC000516238895 1006968167 /nfs/dbraw/zinc/96/81/67/1006968167.db2.gz FRJNPPLOMGHKGR-RUZDIDTESA-N 1 3 421.585 3.861 20 0 HHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](Cc2ccccc2)C1 ZINC000532579059 1007013744 /nfs/dbraw/zinc/01/37/44/1007013744.db2.gz FWTAIZFKAKRJGQ-ZJSXRUAMSA-N 1 3 405.586 3.720 20 0 HHADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000532763276 1007168420 /nfs/dbraw/zinc/16/84/20/1007168420.db2.gz XATPQLQFXICJRJ-FPOVZHCZSA-N 1 3 409.574 3.981 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3CCc3ccccc3)CC2)CC1 ZINC000535559898 1007593484 /nfs/dbraw/zinc/59/34/84/1007593484.db2.gz OUHVJDWOROAKQI-XMMPIXPASA-N 1 3 412.622 3.742 20 0 HHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653463 1007865846 /nfs/dbraw/zinc/86/58/46/1007865846.db2.gz UYLAGFOJBAEKGY-LADGPHEKSA-N 1 3 420.601 3.541 20 0 HHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517653463 1007865857 /nfs/dbraw/zinc/86/58/57/1007865857.db2.gz UYLAGFOJBAEKGY-LADGPHEKSA-N 1 3 420.601 3.541 20 0 HHADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651687 1007969736 /nfs/dbraw/zinc/96/97/36/1007969736.db2.gz RKSCIKTVOJFUOR-CPJSRVTESA-N 1 3 408.590 3.608 20 0 HHADHO C[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539678522 1007998041 /nfs/dbraw/zinc/99/80/41/1007998041.db2.gz LJZIWHSANSWGNL-VFNWGFHPSA-N 1 3 419.928 3.876 20 0 HHADHO O=C1[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000539682379 1008001460 /nfs/dbraw/zinc/00/14/60/1008001460.db2.gz NECHGMIXUOVNDA-FQEVSTJZSA-N 1 3 409.496 3.660 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000536095648 1008118438 /nfs/dbraw/zinc/11/84/38/1008118438.db2.gz MWWPXYXJIVUHCX-DNQXCXABSA-N 1 3 406.574 3.704 20 0 HHADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2)CC1 ZINC000518643861 1008376567 /nfs/dbraw/zinc/37/65/67/1008376567.db2.gz AITIKQPQTQVBEQ-VWLOTQADSA-N 1 3 420.601 3.842 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](COC)c3ccc(F)c(F)c3)cc2)CC1 ZINC000540405551 1008419085 /nfs/dbraw/zinc/41/90/85/1008419085.db2.gz ABDHTGFLSYICBD-QHCPKHFHSA-N 1 3 403.517 3.580 20 0 HHADHO CC1CCN([C@@H](CNC(=O)c2ccccc2OCC[NH+](C)C)c2ccccc2)CC1 ZINC000518809686 1008427696 /nfs/dbraw/zinc/42/76/96/1008427696.db2.gz FFVMEHCPCQHFER-QHCPKHFHSA-N 1 3 409.574 3.830 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000519501136 1008871926 /nfs/dbraw/zinc/87/19/26/1008871926.db2.gz LCYAQGBPYVCXQY-JOCHJYFZSA-N 1 3 414.981 3.688 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC(=O)Nc3ccccc32)cc1OC ZINC000543410259 1009003948 /nfs/dbraw/zinc/00/39/48/1009003948.db2.gz CITUMBCYNQRQLO-HXUWFJFHSA-N 1 3 411.546 3.979 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458605 1009042260 /nfs/dbraw/zinc/04/22/60/1009042260.db2.gz GYADJAKHYMLBEG-XYJFISCASA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458605 1009042278 /nfs/dbraw/zinc/04/22/78/1009042278.db2.gz GYADJAKHYMLBEG-XYJFISCASA-N 1 3 400.485 3.688 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000519982943 1009128831 /nfs/dbraw/zinc/12/88/31/1009128831.db2.gz KPWCMEWCHVKFDF-UHFFFAOYSA-N 1 3 414.638 3.977 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000519982943 1009128834 /nfs/dbraw/zinc/12/88/34/1009128834.db2.gz KPWCMEWCHVKFDF-UHFFFAOYSA-N 1 3 414.638 3.977 20 0 HHADHO CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546183021 1009212771 /nfs/dbraw/zinc/21/27/71/1009212771.db2.gz SDJACIPILOZDCT-QHCPKHFHSA-N 1 3 406.574 3.729 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000546199054 1009225899 /nfs/dbraw/zinc/22/58/99/1009225899.db2.gz FPNPCZDNBVSQIZ-MOPGFXCFSA-N 1 3 422.411 3.825 20 0 HHADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000546199055 1009226394 /nfs/dbraw/zinc/22/63/94/1009226394.db2.gz FPNPCZDNBVSQIZ-OALUTQOASA-N 1 3 422.411 3.825 20 0 HHADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000546228936 1009253812 /nfs/dbraw/zinc/25/38/12/1009253812.db2.gz ZJGXOVFXCDOARA-GOSISDBHSA-N 1 3 419.591 3.531 20 0 HHADHO CN1CCCN(c2ccc(-c3noc(-c4cccc(C[NH+]5CCCC5)c4)n3)cn2)CC1 ZINC000546357541 1009367076 /nfs/dbraw/zinc/36/70/76/1009367076.db2.gz XWEVWKXOSHARBP-UHFFFAOYSA-N 1 3 418.545 3.536 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000550112730 1009708838 /nfs/dbraw/zinc/70/88/38/1009708838.db2.gz LDQUNGVYCCXQCS-UHFFFAOYSA-N 1 3 400.611 3.588 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000550112730 1009708851 /nfs/dbraw/zinc/70/88/51/1009708851.db2.gz LDQUNGVYCCXQCS-UHFFFAOYSA-N 1 3 400.611 3.588 20 0 HHADHO CC(C)[N@@H+]1CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000520724604 1009792843 /nfs/dbraw/zinc/79/28/43/1009792843.db2.gz SSRKZTVFWWUHLP-UHFFFAOYSA-N 1 3 407.002 3.678 20 0 HHADHO CC(C)[N@H+]1CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000520724604 1009792857 /nfs/dbraw/zinc/79/28/57/1009792857.db2.gz SSRKZTVFWWUHLP-UHFFFAOYSA-N 1 3 407.002 3.678 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117404 1010138622 /nfs/dbraw/zinc/13/86/22/1010138622.db2.gz ODWBUGNQUYPFAS-ZWKOTPCHSA-N 1 3 410.389 3.772 20 0 HHADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000521168318 1010201439 /nfs/dbraw/zinc/20/14/39/1010201439.db2.gz PFEWIPQRJRAOIJ-FQEVSTJZSA-N 1 3 407.002 3.726 20 0 HHADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000521168318 1010201461 /nfs/dbraw/zinc/20/14/61/1010201461.db2.gz PFEWIPQRJRAOIJ-FQEVSTJZSA-N 1 3 407.002 3.726 20 0 HHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3OCc3ccncc3)CC2)CC1 ZINC000544595410 1010221679 /nfs/dbraw/zinc/22/16/79/1010221679.db2.gz WIDMXEQQLRLXHO-UHFFFAOYSA-N 1 3 408.590 3.510 20 0 HHADHO Cc1noc(C2CCC([NH2+]C[C@@H]3CN(Cc4ccccc4)CC34CCOCC4)CC2)n1 ZINC000550882552 1010239505 /nfs/dbraw/zinc/23/95/05/1010239505.db2.gz NPTMZOXGRSUYOQ-OOMBGRCJSA-N 1 3 424.589 3.923 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000547842957 1010446257 /nfs/dbraw/zinc/44/62/57/1010446257.db2.gz DKDOVUYYSSEMEN-NFBKMPQASA-N 1 3 401.595 3.539 20 0 HHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155509 1010547286 /nfs/dbraw/zinc/54/72/86/1010547286.db2.gz XHBFWGWEKMYYMM-JTAQYXEDSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155509 1010547297 /nfs/dbraw/zinc/54/72/97/1010547297.db2.gz XHBFWGWEKMYYMM-JTAQYXEDSA-N 1 3 421.585 3.905 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000521816098 1010638598 /nfs/dbraw/zinc/63/85/98/1010638598.db2.gz JNQALMMFMQBJPN-LJQANCHMSA-N 1 3 407.562 3.556 20 0 HHADHO C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000522048170 1010777643 /nfs/dbraw/zinc/77/76/43/1010777643.db2.gz FNFLEWZGOZIFGT-OAQYLSRUSA-N 1 3 408.590 3.513 20 0 HHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2ccc(Cn3cccn3)cc2)CC1 ZINC000536130347 1011253955 /nfs/dbraw/zinc/25/39/55/1011253955.db2.gz JTYINHXHHCCFRK-UHFFFAOYSA-N 1 3 409.965 3.626 20 0 HHADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606340 1011259346 /nfs/dbraw/zinc/25/93/46/1011259346.db2.gz NTGJWBXNAYZBRE-SFHVURJKSA-N 1 3 405.608 3.600 20 0 HHADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000540606340 1011259361 /nfs/dbraw/zinc/25/93/61/1011259361.db2.gz NTGJWBXNAYZBRE-SFHVURJKSA-N 1 3 405.608 3.600 20 0 HHADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159032 1011285554 /nfs/dbraw/zinc/28/55/54/1011285554.db2.gz YJYYJHZDWFXXQR-HRSYOHRGSA-N 1 3 418.585 3.927 20 0 HHADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536159032 1011285570 /nfs/dbraw/zinc/28/55/70/1011285570.db2.gz YJYYJHZDWFXXQR-HRSYOHRGSA-N 1 3 418.585 3.927 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523338720 1011815999 /nfs/dbraw/zinc/81/59/99/1011815999.db2.gz SCCXIEVVZHXLIR-DEOSSOPVSA-N 1 3 406.574 3.596 20 0 HHADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000536666652 1011820027 /nfs/dbraw/zinc/82/00/27/1011820027.db2.gz PJDQXVXVNLTVEU-UHFFFAOYSA-N 1 3 410.606 3.933 20 0 HHADHO CC[NH+](CC)CCO[C@@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536697150 1011865396 /nfs/dbraw/zinc/86/53/96/1011865396.db2.gz LNAYNHNVSUHQJA-LJQANCHMSA-N 1 3 409.368 3.658 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000536702055 1011871351 /nfs/dbraw/zinc/87/13/51/1011871351.db2.gz AVXOBFQKCWABLT-VWLOTQADSA-N 1 3 406.574 3.887 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(-c2ccncc2)s1 ZINC000552305276 1012317547 /nfs/dbraw/zinc/31/75/47/1012317547.db2.gz DBIFWIDZZHKYHM-UHFFFAOYSA-N 1 3 413.635 3.833 20 0 HHADHO CN1CCC(CN[C@H](c2cccnc2)c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000541542504 1012326830 /nfs/dbraw/zinc/32/68/30/1012326830.db2.gz CSYQFVQDUJYKEZ-HSZRJFAPSA-N 1 3 414.544 3.989 20 0 HHADHO Fc1ccc([C@@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)cc1 ZINC000541545296 1012331290 /nfs/dbraw/zinc/33/12/90/1012331290.db2.gz GJHYMVUNLVWDDM-XMMPIXPASA-N 1 3 405.521 3.507 20 0 HHADHO COc1ccccc1[C@@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)N(C)C ZINC000537168059 1012570483 /nfs/dbraw/zinc/57/04/83/1012570483.db2.gz UAILAMPFDIABEF-FCHUYYIVSA-N 1 3 409.574 3.876 20 0 HHADHO CSC[C@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913397 1012771138 /nfs/dbraw/zinc/77/11/38/1012771138.db2.gz IXACEOLVJDCKIA-ROUUACIJSA-N 1 3 417.541 3.642 20 0 HHADHO CSC[C@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913397 1012771158 /nfs/dbraw/zinc/77/11/58/1012771158.db2.gz IXACEOLVJDCKIA-ROUUACIJSA-N 1 3 417.541 3.642 20 0 HHADHO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccc(CN4CCCC4)c3)cc2)CC1 ZINC000552780846 1012784945 /nfs/dbraw/zinc/78/49/45/1012784945.db2.gz SOGJYKBKKJIOED-UHFFFAOYSA-N 1 3 407.558 3.685 20 0 HHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000524141136 1012925582 /nfs/dbraw/zinc/92/55/82/1012925582.db2.gz FIYSTVCOCUTDMQ-UHFFFAOYSA-N 1 3 416.997 3.948 20 0 HHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000537486542 1012997716 /nfs/dbraw/zinc/99/77/16/1012997716.db2.gz IGOCGJSULKOYNS-UZLBHIALSA-N 1 3 407.480 3.645 20 0 HHADHO CCCN(C(=S)NCC1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000760479610 1072387934 /nfs/dbraw/zinc/38/79/34/1072387934.db2.gz ZOVMSBFFRANOSC-JOCHJYFZSA-N 1 3 402.652 3.579 20 0 HHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCOc1ccc(Br)cc1 ZINC001168285028 1072424464 /nfs/dbraw/zinc/42/44/64/1072424464.db2.gz QIQGEMHIBVZHOK-RLLQIKCJSA-N 1 3 411.384 3.792 20 0 HHADHO CN(Cc1ccccc1)C[C@@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001168296872 1072451631 /nfs/dbraw/zinc/45/16/31/1072451631.db2.gz ZANBIRHXCZNUOU-DEOSSOPVSA-N 1 3 420.601 3.782 20 0 HHADHO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](C1CCN(CC3CC3)CC1)CC2 ZINC001168377298 1072473674 /nfs/dbraw/zinc/47/36/74/1072473674.db2.gz BVKZCGMXXMTSDX-UHFFFAOYSA-N 1 3 419.617 3.661 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000571328349 1072604085 /nfs/dbraw/zinc/60/40/85/1072604085.db2.gz LHSRQWAKACXPOP-WMLDXEAASA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000571328349 1072604089 /nfs/dbraw/zinc/60/40/89/1072604089.db2.gz LHSRQWAKACXPOP-WMLDXEAASA-N 1 3 409.596 3.579 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000571328349 1072604096 /nfs/dbraw/zinc/60/40/96/1072604096.db2.gz LHSRQWAKACXPOP-WMLDXEAASA-N 1 3 409.596 3.579 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)c(C)c2)CC1 ZINC000554989689 1073032146 /nfs/dbraw/zinc/03/21/46/1073032146.db2.gz SHPQRYFHGXJORL-UHFFFAOYSA-N 1 3 406.574 3.985 20 0 HHADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)C3)c2)CC1 ZINC000588699432 1073149777 /nfs/dbraw/zinc/14/97/77/1073149777.db2.gz KNJFDDJPAVPQOQ-VWLOTQADSA-N 1 3 420.601 3.842 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001649006125 1074189181 /nfs/dbraw/zinc/18/91/81/1074189181.db2.gz YAZOCSYFEHLKOF-QFIPXVFZSA-N 1 3 406.618 3.755 20 0 HHADHO CN(Cc1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840923 720717237 /nfs/dbraw/zinc/71/72/37/720717237.db2.gz SPWXUAICMLDATF-XMMPIXPASA-N 1 3 420.601 3.936 20 0 HHADHO CN(Cc1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840923 720717244 /nfs/dbraw/zinc/71/72/44/720717244.db2.gz SPWXUAICMLDATF-XMMPIXPASA-N 1 3 420.601 3.936 20 0 HHADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164795978 721503584 /nfs/dbraw/zinc/50/35/84/721503584.db2.gz PAGDCQDCDBSYFC-UHFFFAOYSA-N 1 3 405.590 3.953 20 0 HHADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164795978 721503585 /nfs/dbraw/zinc/50/35/85/721503585.db2.gz PAGDCQDCDBSYFC-UHFFFAOYSA-N 1 3 405.590 3.953 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000542140928 1013074552 /nfs/dbraw/zinc/07/45/52/1013074552.db2.gz SHPCKFFTAYVBJV-HNNXBMFYSA-N 1 3 423.623 3.969 20 0 HHADHO C[NH+](C)Cc1cc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)ccc1F ZINC000303606966 971895263 /nfs/dbraw/zinc/89/52/63/971895263.db2.gz BFGGIISUHIDUHI-HXUWFJFHSA-N 1 3 402.514 3.507 20 0 HHADHO COC(=O)CCn1nc(C)c(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000537621885 1013169578 /nfs/dbraw/zinc/16/95/78/1013169578.db2.gz GXFJZWOHJJZJEI-GOSISDBHSA-N 1 3 404.599 3.540 20 0 HHADHO COC(=O)CCn1nc(C)c(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C ZINC000537621885 1013169583 /nfs/dbraw/zinc/16/95/83/1013169583.db2.gz GXFJZWOHJJZJEI-GOSISDBHSA-N 1 3 404.599 3.540 20 0 HHADHO CCC(CC)[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+](C)C ZINC000303923062 972499329 /nfs/dbraw/zinc/49/93/29/972499329.db2.gz YTWGSLCLWIKJJW-OAQYLSRUSA-N 1 3 406.640 3.766 20 0 HHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000537649384 1013210383 /nfs/dbraw/zinc/21/03/83/1013210383.db2.gz JSRQZANKYSIBTO-XMMPIXPASA-N 1 3 419.573 3.867 20 0 HHADHO C[C@H](C(=O)N1CCc2ccccc2C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841369 1013403011 /nfs/dbraw/zinc/40/30/11/1013403011.db2.gz KPQBNVKEQBPCAJ-HXUWFJFHSA-N 1 3 406.574 3.593 20 0 HHADHO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843547 1013406904 /nfs/dbraw/zinc/40/69/04/1013406904.db2.gz ADHVXYKWUQUWAQ-WOJBJXKFSA-N 1 3 424.589 3.894 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542532829 1013477089 /nfs/dbraw/zinc/47/70/89/1013477089.db2.gz SVROODGZMHGVKV-FRQCXROJSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542532829 1013477092 /nfs/dbraw/zinc/47/70/92/1013477092.db2.gz SVROODGZMHGVKV-FRQCXROJSA-N 1 3 400.485 3.688 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000050797694 964400145 /nfs/dbraw/zinc/40/01/45/964400145.db2.gz SYCJAEUTHCKNRY-UHFFFAOYSA-N 1 3 412.405 3.991 20 0 HHADHO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797783 964400387 /nfs/dbraw/zinc/40/03/87/964400387.db2.gz AVWJRWGTUHKPKY-IBGZPJMESA-N 1 3 401.595 3.561 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000051777843 964695172 /nfs/dbraw/zinc/69/51/72/964695172.db2.gz LLKZXAGSTSYDNQ-OAQYLSRUSA-N 1 3 404.986 3.745 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000537959486 1013539988 /nfs/dbraw/zinc/53/99/88/1013539988.db2.gz JKRSZNAOITZXKV-BEVDRBHNSA-N 1 3 400.592 3.932 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000060524210 966190696 /nfs/dbraw/zinc/19/06/96/966190696.db2.gz FKCLIDOCQSFVEC-QFIPXVFZSA-N 1 3 417.601 3.963 20 0 HHADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061790992 966555749 /nfs/dbraw/zinc/55/57/49/966555749.db2.gz SXMSURRQBDLKLU-HSALFYBXSA-N 1 3 418.651 3.766 20 0 HHADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061790992 966555757 /nfs/dbraw/zinc/55/57/57/966555757.db2.gz SXMSURRQBDLKLU-HSALFYBXSA-N 1 3 418.651 3.766 20 0 HHADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538100460 1013669614 /nfs/dbraw/zinc/66/96/14/1013669614.db2.gz FFPANPVEFXVTPA-HXUWFJFHSA-N 1 3 402.410 3.670 20 0 HHADHO C[N@H+](CCCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000063147643 966761907 /nfs/dbraw/zinc/76/19/07/966761907.db2.gz OEGPMQMEZVXBBY-UHFFFAOYSA-N 1 3 402.652 3.770 20 0 HHADHO C[N@@H+](CCCNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000063147643 966761913 /nfs/dbraw/zinc/76/19/13/966761913.db2.gz OEGPMQMEZVXBBY-UHFFFAOYSA-N 1 3 402.652 3.770 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944221 1013714609 /nfs/dbraw/zinc/71/46/09/1013714609.db2.gz BSAFTAIEFDSPOU-REWPJTCUSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944221 1013714616 /nfs/dbraw/zinc/71/46/16/1013714616.db2.gz BSAFTAIEFDSPOU-REWPJTCUSA-N 1 3 412.578 3.654 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976237 967614350 /nfs/dbraw/zinc/61/43/50/967614350.db2.gz AFWKUVCRZXJJJB-NRFANRHFSA-N 1 3 415.626 3.913 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000045976237 967614354 /nfs/dbraw/zinc/61/43/54/967614354.db2.gz AFWKUVCRZXJJJB-NRFANRHFSA-N 1 3 415.626 3.913 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000066010310 968768345 /nfs/dbraw/zinc/76/83/45/968768345.db2.gz BABWABKMUVCPSV-UHFFFAOYSA-N 1 3 410.631 3.767 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000066010310 968768352 /nfs/dbraw/zinc/76/83/52/968768352.db2.gz BABWABKMUVCPSV-UHFFFAOYSA-N 1 3 410.631 3.767 20 0 HHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000228631470 970125979 /nfs/dbraw/zinc/12/59/79/970125979.db2.gz DUBYFEPKEWWISM-PZJWPPBQSA-N 1 3 411.512 3.678 20 0 HHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000228631470 970125981 /nfs/dbraw/zinc/12/59/81/970125981.db2.gz DUBYFEPKEWWISM-PZJWPPBQSA-N 1 3 411.512 3.678 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc(CN3CCCC3=O)c2)CC1 ZINC000236815063 970175530 /nfs/dbraw/zinc/17/55/30/970175530.db2.gz YIDPRZBQWUHDTQ-UHFFFAOYSA-N 1 3 420.601 3.631 20 0 HHADHO COCC[NH+]1CCC(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000237129167 970228189 /nfs/dbraw/zinc/22/81/89/970228189.db2.gz IITCGKOUPDRTTM-UHFFFAOYSA-N 1 3 404.558 3.799 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000255958486 970610552 /nfs/dbraw/zinc/61/05/52/970610552.db2.gz XWGUUOPZAGNVJO-SIKLNZKXSA-N 1 3 416.610 3.642 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000255958486 970610554 /nfs/dbraw/zinc/61/05/54/970610554.db2.gz XWGUUOPZAGNVJO-SIKLNZKXSA-N 1 3 416.610 3.642 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381303941 972780252 /nfs/dbraw/zinc/78/02/52/972780252.db2.gz BHEAXQRKRQPIAP-LRQRDZAKSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@H](O)c1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303941 972780262 /nfs/dbraw/zinc/78/02/62/972780262.db2.gz BHEAXQRKRQPIAP-LRQRDZAKSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@H](O)c1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303941 972780269 /nfs/dbraw/zinc/78/02/69/972780269.db2.gz BHEAXQRKRQPIAP-LRQRDZAKSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CC[N@@H+]1C ZINC000426793923 974665179 /nfs/dbraw/zinc/66/51/79/974665179.db2.gz RWDPSOQDLPAPQH-IRXDYDNUSA-N 1 3 422.411 3.602 20 0 HHADHO C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CC[N@H+]1C ZINC000426793923 974665182 /nfs/dbraw/zinc/66/51/82/974665182.db2.gz RWDPSOQDLPAPQH-IRXDYDNUSA-N 1 3 422.411 3.602 20 0 HHADHO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(Nc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000427342594 975065428 /nfs/dbraw/zinc/06/54/28/975065428.db2.gz QAIBSQUCSOGBIH-PMACEKPBSA-N 1 3 422.573 3.599 20 0 HHADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000427356691 975074987 /nfs/dbraw/zinc/07/49/87/975074987.db2.gz HMPCUPNWGMIYKZ-OYRHEFFESA-N 1 3 413.606 3.634 20 0 HHADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000427356691 975074996 /nfs/dbraw/zinc/07/49/96/975074996.db2.gz HMPCUPNWGMIYKZ-OYRHEFFESA-N 1 3 413.606 3.634 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000427717612 975250597 /nfs/dbraw/zinc/25/05/97/975250597.db2.gz HTUDPQYKCSXXNT-IBGZPJMESA-N 1 3 420.479 3.559 20 0 HHADHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ncc(Br)cc1F ZINC000427720551 975252123 /nfs/dbraw/zinc/25/21/23/975252123.db2.gz NWIRJDAVSAQBFG-HNNXBMFYSA-N 1 3 413.379 3.584 20 0 HHADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000428233811 975552655 /nfs/dbraw/zinc/55/26/55/975552655.db2.gz USPILPOFVBLRPK-CCDWMCETSA-N 1 3 405.586 3.869 20 0 HHADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003633 976283914 /nfs/dbraw/zinc/28/39/14/976283914.db2.gz CVOUWLNZOBCDPP-ZEQKJWHPSA-N 1 3 408.586 3.780 20 0 HHADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003633 976283922 /nfs/dbraw/zinc/28/39/22/976283922.db2.gz CVOUWLNZOBCDPP-ZEQKJWHPSA-N 1 3 408.586 3.780 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000429085161 976370887 /nfs/dbraw/zinc/37/08/87/976370887.db2.gz YPKXCZDNYXVALO-LEWJYISDSA-N 1 3 423.605 3.817 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000429085161 976370896 /nfs/dbraw/zinc/37/08/96/976370896.db2.gz YPKXCZDNYXVALO-LEWJYISDSA-N 1 3 423.605 3.817 20 0 HHADHO C[C@@H](C(=O)NCCC1=CCCCC1)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430951430 977910360 /nfs/dbraw/zinc/91/03/60/977910360.db2.gz LINIIZBMAUVNBF-NRFANRHFSA-N 1 3 418.670 3.510 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431157842 978058246 /nfs/dbraw/zinc/05/82/46/978058246.db2.gz ZBYICHMMXMDPOR-JOCHJYFZSA-N 1 3 424.593 3.587 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000431631787 978397260 /nfs/dbraw/zinc/39/72/60/978397260.db2.gz SUKIBAKHRZZIFQ-FQEVSTJZSA-N 1 3 406.640 3.942 20 0 HHADHO Cc1ccccc1[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000431646652 978405922 /nfs/dbraw/zinc/40/59/22/978405922.db2.gz XZXSNWOQUBMMLV-QFIPXVFZSA-N 1 3 400.611 3.940 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@](C)(CCc4ccccc4)C3)CC2)CC1 ZINC000435413315 980848506 /nfs/dbraw/zinc/84/85/06/980848506.db2.gz AFFVIBKVRYXIIW-VWLOTQADSA-N 1 3 412.622 3.599 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448467822 981804482 /nfs/dbraw/zinc/80/44/82/981804482.db2.gz RRYWRGSSIYFOQN-ACIOBRDBSA-N 1 3 400.611 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448467822 981804487 /nfs/dbraw/zinc/80/44/87/981804487.db2.gz RRYWRGSSIYFOQN-ACIOBRDBSA-N 1 3 400.611 3.831 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000448475494 981817989 /nfs/dbraw/zinc/81/79/89/981817989.db2.gz TZOQYIXHENWVGO-HXUWFJFHSA-N 1 3 409.018 3.781 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000448475494 981817997 /nfs/dbraw/zinc/81/79/97/981817997.db2.gz TZOQYIXHENWVGO-HXUWFJFHSA-N 1 3 409.018 3.781 20 0 HHADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327499 982725604 /nfs/dbraw/zinc/72/56/04/982725604.db2.gz XRAIYDBQILRXGQ-WWNPGLIZSA-N 1 3 413.610 3.513 20 0 HHADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327499 982725607 /nfs/dbraw/zinc/72/56/07/982725607.db2.gz XRAIYDBQILRXGQ-WWNPGLIZSA-N 1 3 413.610 3.513 20 0 HHADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260178 982966037 /nfs/dbraw/zinc/96/60/37/982966037.db2.gz CBMJYQZBEBHCPV-TZIWHRDSSA-N 1 3 411.512 3.774 20 0 HHADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461260178 982966041 /nfs/dbraw/zinc/96/60/41/982966041.db2.gz CBMJYQZBEBHCPV-TZIWHRDSSA-N 1 3 411.512 3.774 20 0 HHADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000438865650 983130356 /nfs/dbraw/zinc/13/03/56/983130356.db2.gz RZHPEHZIJSNONN-UXHICEINSA-N 1 3 415.626 3.807 20 0 HHADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000438865650 983130362 /nfs/dbraw/zinc/13/03/62/983130362.db2.gz RZHPEHZIJSNONN-UXHICEINSA-N 1 3 415.626 3.807 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000438957338 983177592 /nfs/dbraw/zinc/17/75/92/983177592.db2.gz HIPVLBYKVWSMJZ-FQEVSTJZSA-N 1 3 421.589 3.571 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194285 983303414 /nfs/dbraw/zinc/30/34/14/983303414.db2.gz VYIVLSIJADEUAK-YOSAUDMPSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194285 983303422 /nfs/dbraw/zinc/30/34/22/983303422.db2.gz VYIVLSIJADEUAK-YOSAUDMPSA-N 1 3 421.589 3.569 20 0 HHADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000439258266 983335216 /nfs/dbraw/zinc/33/52/16/983335216.db2.gz KKQRKAWQPFAJEJ-AABGKKOBSA-N 1 3 404.624 3.789 20 0 HHADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000439258266 983335218 /nfs/dbraw/zinc/33/52/18/983335218.db2.gz KKQRKAWQPFAJEJ-AABGKKOBSA-N 1 3 404.624 3.789 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)CC2)CC1 ZINC000440164969 983666665 /nfs/dbraw/zinc/66/66/65/983666665.db2.gz QKYOSVKUKODXQG-SANMLTNESA-N 1 3 424.633 3.625 20 0 HHADHO CC1CC[NH+]([C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)c2ccccc2)CC1 ZINC000467973338 985616795 /nfs/dbraw/zinc/61/67/95/985616795.db2.gz MKJJPNLRCQLTEO-QHCPKHFHSA-N 1 3 413.606 3.611 20 0 HHADHO CCNC(=O)N1CC[C@H](N[C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809399 985739364 /nfs/dbraw/zinc/73/93/64/985739364.db2.gz IODACZYDUVPOLD-FCHUYYIVSA-N 1 3 404.574 3.772 20 0 HHADHO CCNC(=O)N1CC[C@H](N[C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)C1 ZINC000462809401 985739399 /nfs/dbraw/zinc/73/93/99/985739399.db2.gz IODACZYDUVPOLD-VXKWHMMOSA-N 1 3 404.574 3.772 20 0 HHADHO CC(C)(C)OC(=O)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000463060102 986017416 /nfs/dbraw/zinc/01/74/16/986017416.db2.gz VMSZWGUVENCOEU-HSZRJFAPSA-N 1 3 410.558 3.888 20 0 HHADHO CC(C)(C)OC(=O)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000463060102 986017426 /nfs/dbraw/zinc/01/74/26/986017426.db2.gz VMSZWGUVENCOEU-HSZRJFAPSA-N 1 3 410.558 3.888 20 0 HHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CCN1Cc1ccccc1 ZINC000463244829 986213064 /nfs/dbraw/zinc/21/30/64/986213064.db2.gz YZRHPLGTLMCMEI-RZFJZAQRSA-N 1 3 407.602 3.920 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272794 986240016 /nfs/dbraw/zinc/24/00/16/986240016.db2.gz UITXOFSDLUFHFI-SQJMNOBHSA-N 1 3 420.601 3.813 20 0 HHADHO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000444621141 986806098 /nfs/dbraw/zinc/80/60/98/986806098.db2.gz QVMCNXSFCRBSID-UHFFFAOYSA-N 1 3 408.384 3.976 20 0 HHADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719351 986893933 /nfs/dbraw/zinc/89/39/33/986893933.db2.gz QSIKBQNPTBOQHK-XZOQPEGZSA-N 1 3 410.606 3.844 20 0 HHADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719351 986893949 /nfs/dbraw/zinc/89/39/49/986893949.db2.gz QSIKBQNPTBOQHK-XZOQPEGZSA-N 1 3 410.606 3.844 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)cc2)CC1 ZINC000469696420 987354029 /nfs/dbraw/zinc/35/40/29/987354029.db2.gz UXRXEZOQTSZFKL-JOCHJYFZSA-N 1 3 420.601 3.565 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2)CC1 ZINC000469696420 987354034 /nfs/dbraw/zinc/35/40/34/987354034.db2.gz UXRXEZOQTSZFKL-JOCHJYFZSA-N 1 3 420.601 3.565 20 0 HHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229108 988162043 /nfs/dbraw/zinc/16/20/43/988162043.db2.gz AHXCEHLUKZDXFH-IFMALSPDSA-N 1 3 423.523 3.631 20 0 HHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229108 988162048 /nfs/dbraw/zinc/16/20/48/988162048.db2.gz AHXCEHLUKZDXFH-IFMALSPDSA-N 1 3 423.523 3.631 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470282844 988238745 /nfs/dbraw/zinc/23/87/45/988238745.db2.gz LKCSQHPANUWOLL-PKTZIBPZSA-N 1 3 400.611 3.516 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282844 988238757 /nfs/dbraw/zinc/23/87/57/988238757.db2.gz LKCSQHPANUWOLL-PKTZIBPZSA-N 1 3 400.611 3.516 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000470288080 988245919 /nfs/dbraw/zinc/24/59/19/988245919.db2.gz RSUOWORFSLYXLP-XZOQPEGZSA-N 1 3 400.611 3.803 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000470731332 988763812 /nfs/dbraw/zinc/76/38/12/988763812.db2.gz DSJIULXPIVWWME-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000470731332 988763822 /nfs/dbraw/zinc/76/38/22/988763822.db2.gz DSJIULXPIVWWME-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900625 988975720 /nfs/dbraw/zinc/97/57/20/988975720.db2.gz QUOPFMZWXSBENT-URXFXBBRSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900625 988975728 /nfs/dbraw/zinc/97/57/28/988975728.db2.gz QUOPFMZWXSBENT-URXFXBBRSA-N 1 3 408.590 3.813 20 0 HHADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)cc1 ZINC000471001705 989068413 /nfs/dbraw/zinc/06/84/13/989068413.db2.gz RLRCDGSVOYYRMF-CVDCTZTESA-N 1 3 424.589 3.583 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459411 989799509 /nfs/dbraw/zinc/79/95/09/989799509.db2.gz UKHKTGQGEMODAN-SBHAEUEKSA-N 1 3 400.592 3.733 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459411 989799513 /nfs/dbraw/zinc/79/95/13/989799513.db2.gz UKHKTGQGEMODAN-SBHAEUEKSA-N 1 3 400.592 3.733 20 0 HHADHO C[NH+](C)[C@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471609743 989814270 /nfs/dbraw/zinc/81/42/70/989814270.db2.gz KGHQOFCHWVIALP-CTWPCTMYSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@@H]1C[C@H]1[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819689 990203035 /nfs/dbraw/zinc/20/30/35/990203035.db2.gz WARPVXHSEHAGAQ-NPFVIJTESA-N 1 3 419.013 3.895 20 0 HHADHO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465827128 990210894 /nfs/dbraw/zinc/21/08/94/990210894.db2.gz UQUXLUNTBLACNR-HSZRJFAPSA-N 1 3 414.638 3.906 20 0 HHADHO Cc1c(-c2cc(CN3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)on2)cnn1C ZINC000466232783 991458509 /nfs/dbraw/zinc/45/85/09/991458509.db2.gz UGOXPSJHLUWJJC-UHFFFAOYSA-N 1 3 405.546 3.872 20 0 HHADHO Cc1c(-c2cc(CN3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cnn1C ZINC000466232783 991458512 /nfs/dbraw/zinc/45/85/12/991458512.db2.gz UGOXPSJHLUWJJC-UHFFFAOYSA-N 1 3 405.546 3.872 20 0 HHADHO C[C@H](NCc1cc(Cl)ccc1N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000467387946 992702032 /nfs/dbraw/zinc/70/20/32/992702032.db2.gz FDIZKNCPIUTZNT-SFHVURJKSA-N 1 3 417.981 3.968 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000480757488 993623025 /nfs/dbraw/zinc/62/30/25/993623025.db2.gz LINGNODMOOCBNZ-IBGZPJMESA-N 1 3 402.583 3.944 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnn(C)c1 ZINC000480780291 993647244 /nfs/dbraw/zinc/64/72/44/993647244.db2.gz QBSCSPOXKSUAGJ-QGZVFWFLSA-N 1 3 409.500 3.692 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000480908921 993765419 /nfs/dbraw/zinc/76/54/19/993765419.db2.gz LBOAOPMONVJXQX-CVDCTZTESA-N 1 3 410.562 3.561 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189284 994021323 /nfs/dbraw/zinc/02/13/23/994021323.db2.gz MAXVRWZFSWIUGJ-JXFKEZNVSA-N 1 3 403.473 3.727 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000481321915 994141264 /nfs/dbraw/zinc/14/12/64/994141264.db2.gz YOQXJXQYJVHTLQ-PBBNMVCDSA-N 1 3 413.631 3.673 20 0 HHADHO CC(C)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481571673 994407277 /nfs/dbraw/zinc/40/72/77/994407277.db2.gz YBDGWHUFVVKUBV-IBGZPJMESA-N 1 3 417.619 3.891 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3ccccc3C[NH+]3CCCC3)c2)CC1 ZINC000473826197 994755307 /nfs/dbraw/zinc/75/53/07/994755307.db2.gz DXTVHCSETNQBOK-UHFFFAOYSA-N 1 3 421.589 3.746 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000473878265 994823393 /nfs/dbraw/zinc/82/33/93/994823393.db2.gz SKARPONZOLAZKC-QEFHDYNCSA-N 1 3 408.590 3.745 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000473878265 994823405 /nfs/dbraw/zinc/82/34/05/994823405.db2.gz SKARPONZOLAZKC-QEFHDYNCSA-N 1 3 408.590 3.745 20 0 HHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000473878269 994823758 /nfs/dbraw/zinc/82/37/58/994823758.db2.gz SKARPONZOLAZKC-VIZSFHNOSA-N 1 3 408.590 3.745 20 0 HHADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625368 995620440 /nfs/dbraw/zinc/62/04/40/995620440.db2.gz CSDAHISCHSYPLH-PMACEKPBSA-N 1 3 417.619 3.945 20 0 HHADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631652 995625808 /nfs/dbraw/zinc/62/58/08/995625808.db2.gz OEJPZPVRRUNVIU-QPPBQGQZSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000482631652 995625814 /nfs/dbraw/zinc/62/58/14/995625814.db2.gz OEJPZPVRRUNVIU-QPPBQGQZSA-N 1 3 407.558 3.560 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474894949 995785014 /nfs/dbraw/zinc/78/50/14/995785014.db2.gz KNUFKLQDPYCGIA-UHFFFAOYSA-N 1 3 408.306 3.585 20 0 HHADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015811 995871758 /nfs/dbraw/zinc/87/17/58/995871758.db2.gz KLLJINOZIUAJMS-NHCUHLMSSA-N 1 3 412.603 3.801 20 0 HHADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015811 995871764 /nfs/dbraw/zinc/87/17/64/995871764.db2.gz KLLJINOZIUAJMS-NHCUHLMSSA-N 1 3 412.603 3.801 20 0 HHADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475018143 995873589 /nfs/dbraw/zinc/87/35/89/995873589.db2.gz RBANMOBKEQJVDI-XMMPIXPASA-N 1 3 406.574 3.698 20 0 HHADHO CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475130570 995941746 /nfs/dbraw/zinc/94/17/46/995941746.db2.gz QPDSBHJPKBVCEM-DNQXCXABSA-N 1 3 406.574 3.739 20 0 HHADHO CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475165240 995965104 /nfs/dbraw/zinc/96/51/04/995965104.db2.gz RBKFCPYAKGNJDD-DHIUTWEWSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475165240 995965110 /nfs/dbraw/zinc/96/51/10/995965110.db2.gz RBKFCPYAKGNJDD-DHIUTWEWSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475171223 995969485 /nfs/dbraw/zinc/96/94/85/995969485.db2.gz DAOVPPXWINEYOZ-DEOSSOPVSA-N 1 3 421.589 3.604 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475184751 995981357 /nfs/dbraw/zinc/98/13/57/995981357.db2.gz UVURZQWQBZVKJD-SFLYRZDNSA-N 1 3 412.622 3.945 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475184751 995981363 /nfs/dbraw/zinc/98/13/63/995981363.db2.gz UVURZQWQBZVKJD-SFLYRZDNSA-N 1 3 412.622 3.945 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475280103 996042137 /nfs/dbraw/zinc/04/21/37/996042137.db2.gz NFAATSSRURUGQC-HSZRJFAPSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705949 996339431 /nfs/dbraw/zinc/33/94/31/996339431.db2.gz DDIOXJQQPUQPKK-KAGYGMCKSA-N 1 3 404.599 3.592 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1cccc(OC)c1 ZINC000483705949 996339435 /nfs/dbraw/zinc/33/94/35/996339435.db2.gz DDIOXJQQPUQPKK-KAGYGMCKSA-N 1 3 404.599 3.592 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739464 996359115 /nfs/dbraw/zinc/35/91/15/996359115.db2.gz GOIDKBQYBXNQCP-CDXJDZJCSA-N 1 3 421.632 3.732 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739464 996359119 /nfs/dbraw/zinc/35/91/19/996359119.db2.gz GOIDKBQYBXNQCP-CDXJDZJCSA-N 1 3 421.632 3.732 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814922 996405669 /nfs/dbraw/zinc/40/56/69/996405669.db2.gz HCZXCNZOQYKJHE-QKLQHJQFSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814922 996405671 /nfs/dbraw/zinc/40/56/71/996405671.db2.gz HCZXCNZOQYKJHE-QKLQHJQFSA-N 1 3 413.400 3.943 20 0 HHADHO Cc1csc(-c2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2)n1 ZINC000483893558 996453294 /nfs/dbraw/zinc/45/32/94/996453294.db2.gz KBKCBEOUCMSOBS-UHFFFAOYSA-N 1 3 413.591 3.799 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)N(C)C)cc1 ZINC000475982452 996513894 /nfs/dbraw/zinc/51/38/94/996513894.db2.gz IHGYPEROLJBYNW-QHCPKHFHSA-N 1 3 400.611 3.948 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475994513 996524381 /nfs/dbraw/zinc/52/43/81/996524381.db2.gz BTQHJQCXJZLUNN-UHFFFAOYSA-N 1 3 404.574 3.696 20 0 HHADHO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000484182043 996621460 /nfs/dbraw/zinc/62/14/60/996621460.db2.gz WPIDAQOZQFYVNU-CYBMUJFWSA-N 1 3 424.408 3.988 20 0 HHADHO CC(C)[C@@](C)(NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000484338902 996713346 /nfs/dbraw/zinc/71/33/46/996713346.db2.gz JMXLXNYPKBWHCH-OAQYLSRUSA-N 1 3 422.411 3.653 20 0 HHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000484483944 996805128 /nfs/dbraw/zinc/80/51/28/996805128.db2.gz HKCIWVSOEXNDJA-KRWDZBQOSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710740 997252459 /nfs/dbraw/zinc/25/24/59/997252459.db2.gz VVYMZARWMLOGEL-ICSRJNTNSA-N 1 3 400.592 3.705 20 0 HHADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710740 997252470 /nfs/dbraw/zinc/25/24/70/997252470.db2.gz VVYMZARWMLOGEL-ICSRJNTNSA-N 1 3 400.592 3.705 20 0 HHADHO Fc1ccc(-n2cc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)cn2)cc1 ZINC000477224640 997898690 /nfs/dbraw/zinc/89/86/90/997898690.db2.gz ZRQPCFSNBNPIKO-UHFFFAOYSA-N 1 3 421.564 3.699 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486315813 998709147 /nfs/dbraw/zinc/70/91/47/998709147.db2.gz CONNKDIUKVKFNT-GPUOULLFSA-N 1 3 420.601 3.861 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486315813 998709152 /nfs/dbraw/zinc/70/91/52/998709152.db2.gz CONNKDIUKVKFNT-GPUOULLFSA-N 1 3 420.601 3.861 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)c3cccnc23)C[C@@H](C)O1 ZINC000478185956 998810467 /nfs/dbraw/zinc/81/04/67/998810467.db2.gz XGOHUGWTABUJGR-HZPDHXFCSA-N 1 3 406.368 3.976 20 0 HHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C[C@@H]3CCSC3)CC2)c1 ZINC000486963317 999020127 /nfs/dbraw/zinc/02/01/27/999020127.db2.gz FQCALQLXPDRHBN-KRWDZBQOSA-N 1 3 401.542 3.950 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024710 999039939 /nfs/dbraw/zinc/03/99/39/999039939.db2.gz ADNAMLYLFKREKD-ZTCOLXNVSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024710 999039942 /nfs/dbraw/zinc/03/99/42/999039942.db2.gz ADNAMLYLFKREKD-ZTCOLXNVSA-N 1 3 408.590 3.808 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000478795363 999144673 /nfs/dbraw/zinc/14/46/73/999144673.db2.gz IRIURCVWDLCEAQ-JOCHJYFZSA-N 1 3 400.542 3.768 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000478795363 999144674 /nfs/dbraw/zinc/14/46/74/999144674.db2.gz IRIURCVWDLCEAQ-JOCHJYFZSA-N 1 3 400.542 3.768 20 0 HHADHO COc1ccc([C@@H](CCn2cncn2)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444522 999420342 /nfs/dbraw/zinc/42/03/42/999420342.db2.gz IWGQFRLOIUTYRB-ZJSXRUAMSA-N 1 3 405.546 3.530 20 0 HHADHO COc1ccc([C@@H](CCn2cncn2)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444522 999420352 /nfs/dbraw/zinc/42/03/52/999420352.db2.gz IWGQFRLOIUTYRB-ZJSXRUAMSA-N 1 3 405.546 3.530 20 0 HHADHO Cc1cc2[nH]c(CNCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544260 999469812 /nfs/dbraw/zinc/46/98/12/999469812.db2.gz MVKJSTHWBWWRSY-NRFANRHFSA-N 1 3 404.558 3.772 20 0 HHADHO Cc1cc2[nH]c(CNCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544260 999469815 /nfs/dbraw/zinc/46/98/15/999469815.db2.gz MVKJSTHWBWWRSY-NRFANRHFSA-N 1 3 404.558 3.772 20 0 HHADHO c1csc([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557012 /nfs/dbraw/zinc/55/70/12/999557012.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 1 3 406.621 3.675 20 0 HHADHO c1csc([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557013 /nfs/dbraw/zinc/55/70/13/999557013.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 1 3 406.621 3.675 20 0 HHADHO c1csc([C@@H]2CCC[N@@H+](CCOCCN3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557014 /nfs/dbraw/zinc/55/70/14/999557014.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 1 3 406.621 3.675 20 0 HHADHO c1csc([C@@H]2CCC[N@H+](CCOCCN3CCC[C@H](c4nccs4)C3)C2)n1 ZINC000488646909 999557017 /nfs/dbraw/zinc/55/70/17/999557017.db2.gz QOSSYYZEFKLDCS-HDICACEKSA-N 1 3 406.621 3.675 20 0 HHADHO c1csc([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@@H](c4nccs4)C3)C2)n1 ZINC000488646910 999557025 /nfs/dbraw/zinc/55/70/25/999557025.db2.gz QOSSYYZEFKLDCS-QZTJIDSGSA-N 1 3 406.621 3.675 20 0 HHADHO c1csc([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@@H](c4nccs4)C3)C2)n1 ZINC000488646910 999557027 /nfs/dbraw/zinc/55/70/27/999557027.db2.gz QOSSYYZEFKLDCS-QZTJIDSGSA-N 1 3 406.621 3.675 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000479969075 999668188 /nfs/dbraw/zinc/66/81/88/999668188.db2.gz RWSJJXGXSGBTPP-UHFFFAOYSA-N 1 3 423.601 3.805 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000479969075 999668190 /nfs/dbraw/zinc/66/81/90/999668190.db2.gz RWSJJXGXSGBTPP-UHFFFAOYSA-N 1 3 423.601 3.805 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075198 999710367 /nfs/dbraw/zinc/71/03/67/999710367.db2.gz ZQXPIMOTGGFBKN-QGDZQMKYSA-N 1 3 423.601 3.569 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480075198 999710368 /nfs/dbraw/zinc/71/03/68/999710368.db2.gz ZQXPIMOTGGFBKN-QGDZQMKYSA-N 1 3 423.601 3.569 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178964 999717078 /nfs/dbraw/zinc/71/70/78/999717078.db2.gz XXZABCMPISSDEJ-UTKZUKDTSA-N 1 3 418.582 3.701 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1 ZINC000489178964 999717081 /nfs/dbraw/zinc/71/70/81/999717081.db2.gz XXZABCMPISSDEJ-UTKZUKDTSA-N 1 3 418.582 3.701 20 0 HHADHO C[C@@H]1CCC[C@@](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000489293354 999738967 /nfs/dbraw/zinc/73/89/67/999738967.db2.gz FZIFZVGYADWJPI-HYBUGGRVSA-N 1 3 400.611 3.803 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000480220754 999748992 /nfs/dbraw/zinc/74/89/92/999748992.db2.gz DNZBKFOWRAARPE-LJQANCHMSA-N 1 3 415.603 3.677 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000480571225 999829309 /nfs/dbraw/zinc/82/93/09/999829309.db2.gz ZEHMFBOSANEBCN-HSZRJFAPSA-N 1 3 412.578 3.638 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000489773162 999835383 /nfs/dbraw/zinc/83/53/83/999835383.db2.gz KOHYJPPWSSQSSK-JWQCQUIFSA-N 1 3 420.601 3.515 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000489773162 999835386 /nfs/dbraw/zinc/83/53/86/999835386.db2.gz KOHYJPPWSSQSSK-JWQCQUIFSA-N 1 3 420.601 3.515 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844107 999848176 /nfs/dbraw/zinc/84/81/76/999848176.db2.gz XMVIAPBHFLZBSQ-HYBUGGRVSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844107 999848179 /nfs/dbraw/zinc/84/81/79/999848179.db2.gz XMVIAPBHFLZBSQ-HYBUGGRVSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994223 1000031537 /nfs/dbraw/zinc/03/15/37/1000031537.db2.gz KHIYDNPWJGEBFW-BWKNWUBXSA-N 1 3 409.574 3.816 20 0 HHADHO C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994223 1000031539 /nfs/dbraw/zinc/03/15/39/1000031539.db2.gz KHIYDNPWJGEBFW-BWKNWUBXSA-N 1 3 409.574 3.816 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492376906 1000124279 /nfs/dbraw/zinc/12/42/79/1000124279.db2.gz PJZLNNLADQEQSQ-CUWPLCDZSA-N 1 3 422.491 3.945 20 0 HHADHO COc1ccc([C@H]2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521327 1000248814 /nfs/dbraw/zinc/24/88/14/1000248814.db2.gz KPTLFXOSCOPRTF-OFNKIYASSA-N 1 3 421.585 3.654 20 0 HHADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504883677 1000426327 /nfs/dbraw/zinc/42/63/27/1000426327.db2.gz WBTZRJIFCWMAQG-ZEQRLZLVSA-N 1 3 406.574 3.787 20 0 HHADHO Cc1cc(Br)cc2c1[C@H](NCc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000494592691 1000567364 /nfs/dbraw/zinc/56/73/64/1000567364.db2.gz AFTIXYCIEHSHTO-GOSISDBHSA-N 1 3 404.352 3.870 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494924949 1000732756 /nfs/dbraw/zinc/73/27/56/1000732756.db2.gz RQWMPPKMYDCUMF-QFIPXVFZSA-N 1 3 422.617 3.637 20 0 HHADHO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCCN3CCOCC3)CC2)c(C)c1 ZINC000506047025 1001189546 /nfs/dbraw/zinc/18/95/46/1001189546.db2.gz GJADEYCTPLBGSO-NRFANRHFSA-N 1 3 401.595 3.763 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)CCCc3ccccc3)CC2)CC1 ZINC000506149822 1001250015 /nfs/dbraw/zinc/25/00/15/1001250015.db2.gz SGWSTCBQAHIBHI-UHFFFAOYSA-N 1 3 414.638 3.893 20 0 HHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446154 1001370067 /nfs/dbraw/zinc/37/00/67/1001370067.db2.gz SCQKNKJMBXERQB-UWJYYQICSA-N 1 3 400.542 3.857 20 0 HHADHO C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000497561389 1001435878 /nfs/dbraw/zinc/43/58/78/1001435878.db2.gz FQNAREOXYVICOF-NRFANRHFSA-N 1 3 412.622 3.947 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526610 1001451450 /nfs/dbraw/zinc/45/14/50/1001451450.db2.gz QOOMTKNATIATJQ-CTNGQTDRSA-N 1 3 407.549 3.772 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526610 1001451452 /nfs/dbraw/zinc/45/14/52/1001451452.db2.gz QOOMTKNATIATJQ-CTNGQTDRSA-N 1 3 407.549 3.772 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594713 1001451629 /nfs/dbraw/zinc/45/16/29/1001451629.db2.gz CNBMSAJGYYORPF-XLIONFOSSA-N 1 3 424.511 3.578 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594713 1001451631 /nfs/dbraw/zinc/45/16/31/1001451631.db2.gz CNBMSAJGYYORPF-XLIONFOSSA-N 1 3 424.511 3.578 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)N(C)C)cc1 ZINC000506621465 1001473881 /nfs/dbraw/zinc/47/38/81/1001473881.db2.gz RPMPCQHXDMOPLX-XJUOHMSHSA-N 1 3 400.611 3.894 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)N(C)C)cc1 ZINC000506621465 1001473885 /nfs/dbraw/zinc/47/38/85/1001473885.db2.gz RPMPCQHXDMOPLX-XJUOHMSHSA-N 1 3 400.611 3.894 20 0 HHADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934163 1001601552 /nfs/dbraw/zinc/60/15/52/1001601552.db2.gz OIAKFMGUTURZTL-LEWJYISDSA-N 1 3 422.683 3.644 20 0 HHADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934163 1001601555 /nfs/dbraw/zinc/60/15/55/1001601555.db2.gz OIAKFMGUTURZTL-LEWJYISDSA-N 1 3 422.683 3.644 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694772 1002081512 /nfs/dbraw/zinc/08/15/12/1002081512.db2.gz MUJJAMOIVZRVSW-RCZVLFRGSA-N 1 3 422.617 3.979 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694772 1002081519 /nfs/dbraw/zinc/08/15/19/1002081519.db2.gz MUJJAMOIVZRVSW-RCZVLFRGSA-N 1 3 422.617 3.979 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706346 1002090212 /nfs/dbraw/zinc/09/02/12/1002090212.db2.gz FYAOSHLRGVIBLD-IRLDBZIGSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706346 1002090221 /nfs/dbraw/zinc/09/02/21/1002090221.db2.gz FYAOSHLRGVIBLD-IRLDBZIGSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000499112099 1002501662 /nfs/dbraw/zinc/50/16/62/1002501662.db2.gz NWOSUVKYAZXSPZ-SHBJFUFKSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000499112099 1002501672 /nfs/dbraw/zinc/50/16/72/1002501672.db2.gz NWOSUVKYAZXSPZ-SHBJFUFKSA-N 1 3 408.590 3.888 20 0 HHADHO Fc1ccc(N2CCN(CCN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148775 1002531847 /nfs/dbraw/zinc/53/18/47/1002531847.db2.gz DQLPMQSPMMYTNI-ITHGVDGZSA-N 1 3 422.592 3.733 20 0 HHADHO Fc1ccc(N2CCN(CCN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148775 1002531860 /nfs/dbraw/zinc/53/18/60/1002531860.db2.gz DQLPMQSPMMYTNI-ITHGVDGZSA-N 1 3 422.592 3.733 20 0 HHADHO c1ccc(CN2CCO[C@H](CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155014 1002538657 /nfs/dbraw/zinc/53/86/57/1002538657.db2.gz GGXINKXOSITPMG-FXSWLTOZSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(CN2CCO[C@H](CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155014 1002538667 /nfs/dbraw/zinc/53/86/67/1002538667.db2.gz GGXINKXOSITPMG-FXSWLTOZSA-N 1 3 405.586 3.673 20 0 HHADHO C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693801 1003131838 /nfs/dbraw/zinc/13/18/38/1003131838.db2.gz BQCJMVUHQCBEKW-OFVILXPXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508693801 1003131855 /nfs/dbraw/zinc/13/18/55/1003131855.db2.gz BQCJMVUHQCBEKW-OFVILXPXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693801 1003131850 /nfs/dbraw/zinc/13/18/50/1003131850.db2.gz BQCJMVUHQCBEKW-OFVILXPXSA-N 1 3 401.554 3.897 20 0 HHADHO COc1ccc([C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713097 1003152043 /nfs/dbraw/zinc/15/20/43/1003152043.db2.gz SBTIGRKPYOMOBD-PTUXOGIPSA-N 1 3 411.590 3.807 20 0 HHADHO COc1ccc([C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713097 1003152050 /nfs/dbraw/zinc/15/20/50/1003152050.db2.gz SBTIGRKPYOMOBD-PTUXOGIPSA-N 1 3 411.590 3.807 20 0 HHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868864 1003289681 /nfs/dbraw/zinc/28/96/81/1003289681.db2.gz WHLUKCHCCLLDGP-OHCFRWENSA-N 1 3 423.605 3.716 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(OC(C)(C)C)n1 ZINC000508889851 1003318283 /nfs/dbraw/zinc/31/82/83/1003318283.db2.gz NQJVHPWIPIOYKY-UHFFFAOYSA-N 1 3 402.627 3.887 20 0 HHADHO CN(C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899236 1003332472 /nfs/dbraw/zinc/33/24/72/1003332472.db2.gz SZNXJERRRNROKK-RBBKRZOGSA-N 1 3 419.491 3.860 20 0 HHADHO CN(C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899236 1003332451 /nfs/dbraw/zinc/33/24/51/1003332451.db2.gz SZNXJERRRNROKK-RBBKRZOGSA-N 1 3 419.491 3.860 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000500102533 1003464020 /nfs/dbraw/zinc/46/40/20/1003464020.db2.gz DGPASKKQQWESMF-UHFFFAOYSA-N 1 3 406.574 3.530 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)N(C)C)cc1 ZINC000500131216 1003491803 /nfs/dbraw/zinc/49/18/03/1003491803.db2.gz HOZSCSJCSRCUQF-DEOSSOPVSA-N 1 3 408.590 3.947 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372171 1003668614 /nfs/dbraw/zinc/66/86/14/1003668614.db2.gz UOYVZYYSJZMNAB-RTBURBONSA-N 1 3 410.389 3.772 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719440 1003919222 /nfs/dbraw/zinc/91/92/22/1003919222.db2.gz ZOCIKFPLSAABAN-NZQKXSOJSA-N 1 3 421.589 3.775 20 0 HHADHO CN(CC(=O)NCCCSc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501089343 1004195549 /nfs/dbraw/zinc/19/55/49/1004195549.db2.gz QAIZYWXEGRUKQL-UHFFFAOYSA-N 1 3 412.603 3.528 20 0 HHADHO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000501112115 1004212716 /nfs/dbraw/zinc/21/27/16/1004212716.db2.gz YKCOBOKMACEKPN-QHCPKHFHSA-N 1 3 417.638 3.907 20 0 HHADHO COc1ccc(CC[C@@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000501112115 1004212725 /nfs/dbraw/zinc/21/27/25/1004212725.db2.gz YKCOBOKMACEKPN-QHCPKHFHSA-N 1 3 417.638 3.907 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000512318213 1004213397 /nfs/dbraw/zinc/21/33/97/1004213397.db2.gz LWGIFKQRFKQVNC-RCCFBDPRSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318213 1004213406 /nfs/dbraw/zinc/21/34/06/1004213406.db2.gz LWGIFKQRFKQVNC-RCCFBDPRSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318213 1004213417 /nfs/dbraw/zinc/21/34/17/1004213417.db2.gz LWGIFKQRFKQVNC-RCCFBDPRSA-N 1 3 403.567 3.664 20 0 HHADHO COc1cc(CCC2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cc(OC)c1 ZINC000501130718 1004223248 /nfs/dbraw/zinc/22/32/48/1004223248.db2.gz DJKVBHUCTXXPNI-UHFFFAOYSA-N 1 3 417.638 3.765 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501376573 1004376319 /nfs/dbraw/zinc/37/63/19/1004376319.db2.gz GWUOMOGDXZIKHJ-REWPJTCUSA-N 1 3 400.611 3.777 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501376573 1004376325 /nfs/dbraw/zinc/37/63/25/1004376325.db2.gz GWUOMOGDXZIKHJ-REWPJTCUSA-N 1 3 400.611 3.777 20 0 HHADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501401990 1004393974 /nfs/dbraw/zinc/39/39/74/1004393974.db2.gz GTWPZCPIOAISMM-AVCGJXAMSA-N 1 3 412.553 3.638 20 0 HHADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501401990 1004393983 /nfs/dbraw/zinc/39/39/83/1004393983.db2.gz GTWPZCPIOAISMM-AVCGJXAMSA-N 1 3 412.553 3.638 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698709 1004502850 /nfs/dbraw/zinc/50/28/50/1004502850.db2.gz KWOSZMDBVRDTNK-QNWVGRARSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698709 1004502858 /nfs/dbraw/zinc/50/28/58/1004502858.db2.gz KWOSZMDBVRDTNK-QNWVGRARSA-N 1 3 412.622 3.945 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](CC)CC)cc2)CC1 ZINC000510378594 1004521929 /nfs/dbraw/zinc/52/19/29/1004521929.db2.gz OXEKBXYCPNGCHW-VWLOTQADSA-N 1 3 422.617 3.511 20 0 HHADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488127 1004604625 /nfs/dbraw/zinc/60/46/25/1004604625.db2.gz GLHRRUZZLIPRSG-CTNGQTDRSA-N 1 3 412.622 3.776 20 0 HHADHO C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488127 1004604627 /nfs/dbraw/zinc/60/46/27/1004604627.db2.gz GLHRRUZZLIPRSG-CTNGQTDRSA-N 1 3 412.622 3.776 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552042 1004689209 /nfs/dbraw/zinc/68/92/09/1004689209.db2.gz VEIGZQZWRGCADX-HYBUGGRVSA-N 1 3 408.590 3.558 20 0 HHADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000501790803 1004733835 /nfs/dbraw/zinc/73/38/35/1004733835.db2.gz OTXBLXRUUZYHQS-QGZVFWFLSA-N 1 3 424.427 3.850 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000501809163 1004749924 /nfs/dbraw/zinc/74/99/24/1004749924.db2.gz HUXPHGWBCCUSOH-RUZDIDTESA-N 1 3 405.586 3.783 20 0 HHADHO C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000510731091 1004821839 /nfs/dbraw/zinc/82/18/39/1004821839.db2.gz FJZDAIDXBVQNSK-GOSISDBHSA-N 1 3 415.528 3.901 20 0 HHADHO COc1cc(OC)cc(N2CC[C@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000513334281 1004916169 /nfs/dbraw/zinc/91/61/69/1004916169.db2.gz GCQFGLREJGOICC-LJQANCHMSA-N 1 3 401.595 3.917 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000513397653 1004943215 /nfs/dbraw/zinc/94/32/15/1004943215.db2.gz MTDIWJOTHZXMKC-SFTDATJTSA-N 1 3 405.533 3.621 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000513449679 1004972068 /nfs/dbraw/zinc/97/20/68/1004972068.db2.gz ZKBQZKNQHFGMKK-DYESRHJHSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3c2cccc3Br)C1 ZINC000513449679 1004972072 /nfs/dbraw/zinc/97/20/72/1004972072.db2.gz ZKBQZKNQHFGMKK-DYESRHJHSA-N 1 3 401.348 3.793 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)N(C)C)cc1 ZINC000502511514 1005097074 /nfs/dbraw/zinc/09/70/74/1005097074.db2.gz TWBRKKYPUAIMBI-XPPIMPSXSA-N 1 3 400.611 3.940 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266313 1005098092 /nfs/dbraw/zinc/09/80/92/1005098092.db2.gz DEQCDJNKJXRVJH-HKUYNNGSSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266313 1005098099 /nfs/dbraw/zinc/09/80/99/1005098099.db2.gz DEQCDJNKJXRVJH-HKUYNNGSSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)N(C)Cc1ccccc1 ZINC000502788678 1005217894 /nfs/dbraw/zinc/21/78/94/1005217894.db2.gz IIHCOWNWKYXQBU-RBKXMNCYSA-N 1 3 400.611 3.849 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000502843699 1005240837 /nfs/dbraw/zinc/24/08/37/1005240837.db2.gz JPRXXRPXNIPTDH-OFNKIYASSA-N 1 3 416.610 3.786 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N2CCCC2)c1 ZINC000502843699 1005240840 /nfs/dbraw/zinc/24/08/40/1005240840.db2.gz JPRXXRPXNIPTDH-OFNKIYASSA-N 1 3 416.610 3.786 20 0 HHADHO Cc1ccc([C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc2)cc1 ZINC000514065919 1005251189 /nfs/dbraw/zinc/25/11/89/1005251189.db2.gz HFDSHDQEBYAUNS-RUZDIDTESA-N 1 3 420.601 3.942 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110338 1005270030 /nfs/dbraw/zinc/27/00/30/1005270030.db2.gz CSAILVJYNNHGPI-ADYITMSISA-N 1 3 400.611 3.879 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110338 1005270032 /nfs/dbraw/zinc/27/00/32/1005270032.db2.gz CSAILVJYNNHGPI-ADYITMSISA-N 1 3 400.611 3.879 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)N(C)C)cc1 ZINC000503349635 1005395555 /nfs/dbraw/zinc/39/55/55/1005395555.db2.gz WJZFASCUDPGJFX-GGAORHGYSA-N 1 3 400.611 3.895 20 0 HHADHO CC1CC[NH+](Cc2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2)CC1 ZINC000504429758 1005626815 /nfs/dbraw/zinc/62/68/15/1005626815.db2.gz WVZYXEMBBFJIKR-UHFFFAOYSA-N 1 3 423.605 3.587 20 0 HHADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000531204102 1006044574 /nfs/dbraw/zinc/04/45/74/1006044574.db2.gz LYMJCNBNSHUTNN-NRFANRHFSA-N 1 3 406.574 3.729 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000514579243 1006045907 /nfs/dbraw/zinc/04/59/07/1006045907.db2.gz ZEONHSKOUIFLAL-UHFFFAOYSA-N 1 3 410.562 3.681 20 0 HHADHO CN1CCN(C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838590 1006167366 /nfs/dbraw/zinc/16/73/66/1006167366.db2.gz TWAGAKALPBWRTG-NFGXINMFSA-N 1 3 418.629 3.760 20 0 HHADHO CN1CCN(C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838590 1006167373 /nfs/dbraw/zinc/16/73/73/1006167373.db2.gz TWAGAKALPBWRTG-NFGXINMFSA-N 1 3 418.629 3.760 20 0 HHADHO COc1c(Br)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1Br ZINC000534342432 1006308973 /nfs/dbraw/zinc/30/89/73/1006308973.db2.gz FKOFFFQONBFXEU-GFCCVEGCSA-N 1 3 420.189 3.994 20 0 HHADHO COc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1Br ZINC000534342432 1006308982 /nfs/dbraw/zinc/30/89/82/1006308982.db2.gz FKOFFFQONBFXEU-GFCCVEGCSA-N 1 3 420.189 3.994 20 0 HHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000531709586 1006369891 /nfs/dbraw/zinc/36/98/91/1006369891.db2.gz XZWPORWOWOKOQF-NLFFAJNJSA-N 1 3 403.574 3.820 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)N2CCCCC2)cc1 ZINC000515291109 1006379909 /nfs/dbraw/zinc/37/99/09/1006379909.db2.gz WPONNFLPLAILIC-DNQXCXABSA-N 1 3 424.589 3.824 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210980 1006724286 /nfs/dbraw/zinc/72/42/86/1006724286.db2.gz QOIBDQBTDPILSM-OAQYLSRUSA-N 1 3 420.601 3.820 20 0 HHADHO C[NH+](C)CCC1CCN([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000538465484 1006735238 /nfs/dbraw/zinc/73/52/38/1006735238.db2.gz BFANDDGBZWXRGQ-HXUWFJFHSA-N 1 3 411.512 3.860 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000538492466 1006761068 /nfs/dbraw/zinc/76/10/68/1006761068.db2.gz PFKYJBUFWMNAQI-QFIPXVFZSA-N 1 3 408.590 3.596 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534792444 1006795634 /nfs/dbraw/zinc/79/56/34/1006795634.db2.gz AGMPAYNTVYQTPU-SFHVURJKSA-N 1 3 400.792 3.707 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCn3ccc4cc(Cl)ccc43)CC2)CC1 ZINC000534814748 1006821159 /nfs/dbraw/zinc/82/11/59/1006821159.db2.gz ASCFADJLSWRPQA-UHFFFAOYSA-N 1 3 416.997 3.750 20 0 HHADHO C[C@@H]1CCc2c(sc3nc(CCN4CCC(CC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000532486498 1006926410 /nfs/dbraw/zinc/92/64/10/1006926410.db2.gz WFGYQLANWYNCNB-OAHLLOKOSA-N 1 3 401.624 3.605 20 0 HHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532504384 1006944238 /nfs/dbraw/zinc/94/42/38/1006944238.db2.gz WKXVSBIFNDSDSU-CVEARBPZSA-N 1 3 413.484 3.513 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000538724921 1007002911 /nfs/dbraw/zinc/00/29/11/1007002911.db2.gz JEDCBQABTZLRKD-UHFFFAOYSA-N 1 3 413.585 3.640 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333298 1007023010 /nfs/dbraw/zinc/02/30/10/1007023010.db2.gz PPNVWFLDAGEPAU-ISKFKSNPSA-N 1 3 424.589 3.502 20 0 HHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000538750843 1007035859 /nfs/dbraw/zinc/03/58/59/1007035859.db2.gz BQZOICIWMPMBAP-IBGZPJMESA-N 1 3 406.521 3.700 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058978 1007352781 /nfs/dbraw/zinc/35/27/81/1007352781.db2.gz BABDVQJLRMRJEZ-XFEAKLGESA-N 1 3 417.500 3.528 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000539062583 1007356001 /nfs/dbraw/zinc/35/60/01/1007356001.db2.gz WPTDINBUUCWADK-IPMKNSEASA-N 1 3 409.368 3.630 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000539073639 1007365495 /nfs/dbraw/zinc/36/54/95/1007365495.db2.gz VKKIZXNDZBGONS-LJQANCHMSA-N 1 3 423.557 3.524 20 0 HHADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084686 1007374034 /nfs/dbraw/zinc/37/40/34/1007374034.db2.gz QCKFRXJBLVKWEA-HRAATJIYSA-N 1 3 401.938 3.737 20 0 HHADHO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1CCC(Cc2ccccc2)CC1 ZINC000517664997 1007878202 /nfs/dbraw/zinc/87/82/02/1007878202.db2.gz MSGAYGWMGXEJBD-NRFANRHFSA-N 1 3 423.601 3.586 20 0 HHADHO COc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728031 1007934017 /nfs/dbraw/zinc/93/40/17/1007934017.db2.gz FSCONJUKENJUFU-ILBGXUMGSA-N 1 3 421.585 3.861 20 0 HHADHO COc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728031 1007934024 /nfs/dbraw/zinc/93/40/24/1007934024.db2.gz FSCONJUKENJUFU-ILBGXUMGSA-N 1 3 421.585 3.861 20 0 HHADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651689 1007969783 /nfs/dbraw/zinc/96/97/83/1007969783.db2.gz RKSCIKTVOJFUOR-NBGIEHNGSA-N 1 3 408.590 3.608 20 0 HHADHO COc1ccc2cc([C@@H](C)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)ccc2c1 ZINC000539689614 1008009022 /nfs/dbraw/zinc/00/90/22/1008009022.db2.gz ODWWTVMQVBILBI-CLOONOSVSA-N 1 3 419.569 3.788 20 0 HHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(OCC[NH+](C)C)CC2)o1 ZINC000539832296 1008125854 /nfs/dbraw/zinc/12/58/54/1008125854.db2.gz OBCIJJAXJQUUIP-UHFFFAOYSA-N 1 3 408.546 3.983 20 0 HHADHO COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000539832706 1008126155 /nfs/dbraw/zinc/12/61/55/1008126155.db2.gz ZOIZYIUFUGCTLV-VWLOTQADSA-N 1 3 424.589 3.551 20 0 HHADHO COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1C ZINC000539832706 1008126166 /nfs/dbraw/zinc/12/61/66/1008126166.db2.gz ZOIZYIUFUGCTLV-VWLOTQADSA-N 1 3 424.589 3.551 20 0 HHADHO CC(C)Oc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000539836090 1008128518 /nfs/dbraw/zinc/12/85/18/1008128518.db2.gz QXRKPGZZIMLCPK-UHFFFAOYSA-N 1 3 423.601 3.934 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNCc2c(Cl)cccc2N2CCN(C)CC2)c1 ZINC000539951297 1008202149 /nfs/dbraw/zinc/20/21/49/1008202149.db2.gz RTSHVWGJFUSFOK-UHFFFAOYSA-N 1 3 400.998 3.833 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNCc2c(Cl)cccc2N2CCN(C)CC2)c1 ZINC000539951297 1008202152 /nfs/dbraw/zinc/20/21/52/1008202152.db2.gz RTSHVWGJFUSFOK-UHFFFAOYSA-N 1 3 400.998 3.833 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000539975613 1008216696 /nfs/dbraw/zinc/21/66/96/1008216696.db2.gz AAEIUUOWVFCRHT-BJKOFHAPSA-N 1 3 421.589 3.775 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000539975615 1008216791 /nfs/dbraw/zinc/21/67/91/1008216791.db2.gz AAEIUUOWVFCRHT-RPWUZVMVSA-N 1 3 421.589 3.775 20 0 HHADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045419 1008254517 /nfs/dbraw/zinc/25/45/17/1008254517.db2.gz NNUFIFBMUKVVHQ-LJQANCHMSA-N 1 3 412.553 3.979 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000518459895 1008317053 /nfs/dbraw/zinc/31/70/53/1008317053.db2.gz JRHLZDNAEMGEPQ-DENIHFKCSA-N 1 3 416.610 3.642 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000518459895 1008317054 /nfs/dbraw/zinc/31/70/54/1008317054.db2.gz JRHLZDNAEMGEPQ-DENIHFKCSA-N 1 3 416.610 3.642 20 0 HHADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000540172727 1008322275 /nfs/dbraw/zinc/32/22/75/1008322275.db2.gz UMHYAPWPOWZWIK-HRCADAONSA-N 1 3 401.364 3.998 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504661 1008458742 /nfs/dbraw/zinc/45/87/42/1008458742.db2.gz FOBFKBFFYHPYBM-HDICACEKSA-N 1 3 402.608 3.860 20 0 HHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504661 1008458743 /nfs/dbraw/zinc/45/87/43/1008458743.db2.gz FOBFKBFFYHPYBM-HDICACEKSA-N 1 3 402.608 3.860 20 0 HHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000540504661 1008458747 /nfs/dbraw/zinc/45/87/47/1008458747.db2.gz FOBFKBFFYHPYBM-HDICACEKSA-N 1 3 402.608 3.860 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000520129797 1009282664 /nfs/dbraw/zinc/28/26/64/1009282664.db2.gz TTYDHAVKXAGYAJ-KDURUIRLSA-N 1 3 424.580 3.796 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000520129797 1009282675 /nfs/dbraw/zinc/28/26/75/1009282675.db2.gz TTYDHAVKXAGYAJ-KDURUIRLSA-N 1 3 424.580 3.796 20 0 HHADHO c1onc(Cc2ccccc2)c1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000549711849 1009342022 /nfs/dbraw/zinc/34/20/22/1009342022.db2.gz STDKZAFNVFNFNP-UHFFFAOYSA-N 1 3 404.558 3.957 20 0 HHADHO c1onc(Cc2ccccc2)c1CNCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000549711849 1009342037 /nfs/dbraw/zinc/34/20/37/1009342037.db2.gz STDKZAFNVFNFNP-UHFFFAOYSA-N 1 3 404.558 3.957 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)N2CCCC2)cc1 ZINC000520298833 1009423912 /nfs/dbraw/zinc/42/39/12/1009423912.db2.gz NRTAWZLBVOOYAT-XMMPIXPASA-N 1 3 408.590 3.905 20 0 HHADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000520348264 1009484508 /nfs/dbraw/zinc/48/45/08/1009484508.db2.gz NKXHQYDWXKRVGE-IWUGNULFSA-N 1 3 418.585 3.605 20 0 HHADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000520348264 1009484517 /nfs/dbraw/zinc/48/45/17/1009484517.db2.gz NKXHQYDWXKRVGE-IWUGNULFSA-N 1 3 418.585 3.605 20 0 HHADHO CCc1nc(C(C)C)ccc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000549916221 1009534094 /nfs/dbraw/zinc/53/40/94/1009534094.db2.gz PQEUFUFGVYXFFR-UHFFFAOYSA-N 1 3 414.638 3.972 20 0 HHADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000546619496 1009632222 /nfs/dbraw/zinc/63/22/22/1009632222.db2.gz WVGMEXNPRCAGIO-KURKYZTESA-N 1 3 407.986 3.561 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067541 1010085659 /nfs/dbraw/zinc/08/56/59/1010085659.db2.gz YBKORMXYKOJIQN-OALUTQOASA-N 1 3 424.580 3.796 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547505269 1010331305 /nfs/dbraw/zinc/33/13/05/1010331305.db2.gz LNMLWCNHTLXHQR-CTVDGRRTSA-N 1 3 408.590 3.695 20 0 HHADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000521700171 1010560190 /nfs/dbraw/zinc/56/01/90/1010560190.db2.gz VFTNPZNJJUZMCC-KDURUIRLSA-N 1 3 404.624 3.662 20 0 HHADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000521700171 1010560199 /nfs/dbraw/zinc/56/01/99/1010560199.db2.gz VFTNPZNJJUZMCC-KDURUIRLSA-N 1 3 404.624 3.662 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000522318093 1010926767 /nfs/dbraw/zinc/92/67/67/1010926767.db2.gz QKSNQQOVWPRRJW-QPPBQGQZSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000522318094 1010926783 /nfs/dbraw/zinc/92/67/83/1010926783.db2.gz QKSNQQOVWPRRJW-URXFXBBRSA-N 1 3 408.590 3.904 20 0 HHADHO CCCN(Cc1c(F)cccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522694224 1011162256 /nfs/dbraw/zinc/16/22/56/1011162256.db2.gz TWWRWACMSALZKX-UHFFFAOYSA-N 1 3 424.992 3.959 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1Cl ZINC000522756248 1011197774 /nfs/dbraw/zinc/19/77/74/1011197774.db2.gz OTHYJDWWMRQLQA-CQSZACIVSA-N 1 3 413.393 3.912 20 0 HHADHO CC(C)C(=O)Nc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000536135145 1011258247 /nfs/dbraw/zinc/25/82/47/1011258247.db2.gz FZGVJALJZGXGIS-UHFFFAOYSA-N 1 3 414.981 3.976 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830469 1011266160 /nfs/dbraw/zinc/26/61/60/1011266160.db2.gz WPUAUFSFDLGKCP-BWKNWUBXSA-N 1 3 420.601 3.984 20 0 HHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830469 1011266175 /nfs/dbraw/zinc/26/61/75/1011266175.db2.gz WPUAUFSFDLGKCP-BWKNWUBXSA-N 1 3 420.601 3.984 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522868463 1011310293 /nfs/dbraw/zinc/31/02/93/1011310293.db2.gz SXJWPFAAXUVVPF-VWLOTQADSA-N 1 3 420.601 3.986 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000536427296 1011646504 /nfs/dbraw/zinc/64/65/04/1011646504.db2.gz GRQRCVABOUGLQN-XMMPIXPASA-N 1 3 406.574 3.811 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2ccc3ncccc3c2)CC1)Cc1ccccc1 ZINC000536679268 1011842371 /nfs/dbraw/zinc/84/23/71/1011842371.db2.gz YQDXGNAVIDSFBZ-UHFFFAOYSA-N 1 3 416.569 3.695 20 0 HHADHO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724940 1011895830 /nfs/dbraw/zinc/89/58/30/1011895830.db2.gz XIJVAYLLIATETK-WMZHIEFXSA-N 1 3 422.573 3.648 20 0 HHADHO Cc1ccc(NC(=O)NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000536730160 1011903309 /nfs/dbraw/zinc/90/33/09/1011903309.db2.gz XMXXODKRMXZKRN-UHFFFAOYSA-N 1 3 423.561 3.585 20 0 HHADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000551790068 1011948969 /nfs/dbraw/zinc/94/89/69/1011948969.db2.gz VLDQSDZTAGICFS-UKDVSSAZSA-N 1 3 421.585 3.803 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472954 1011982539 /nfs/dbraw/zinc/98/25/39/1011982539.db2.gz HWCHDBTWTKYHHI-QPPBQGQZSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472954 1011982548 /nfs/dbraw/zinc/98/25/48/1011982548.db2.gz HWCHDBTWTKYHHI-QPPBQGQZSA-N 1 3 408.590 3.813 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032936 1012057667 /nfs/dbraw/zinc/05/76/67/1012057667.db2.gz CYAKTGTVYDLBDL-ZKMPZPQNSA-N 1 3 421.585 3.592 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000552032936 1012057686 /nfs/dbraw/zinc/05/76/86/1012057686.db2.gz CYAKTGTVYDLBDL-ZKMPZPQNSA-N 1 3 421.585 3.592 20 0 HHADHO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000552054892 1012073189 /nfs/dbraw/zinc/07/31/89/1012073189.db2.gz RXNIIWXYTMTWHC-CJRSTVEYSA-N 1 3 407.606 3.669 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523543974 1012076079 /nfs/dbraw/zinc/07/60/79/1012076079.db2.gz KTUYBARUWHAQRY-UHFFFAOYSA-N 1 3 420.601 3.718 20 0 HHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536855731 1012088367 /nfs/dbraw/zinc/08/83/67/1012088367.db2.gz CBYFVRBJZJXBOH-GUDVDZBRSA-N 1 3 410.002 3.556 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000536901477 1012160299 /nfs/dbraw/zinc/16/02/99/1012160299.db2.gz OGRXWGUFTPSVBT-UHFFFAOYSA-N 1 3 420.601 3.613 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599470 1012392377 /nfs/dbraw/zinc/39/23/77/1012392377.db2.gz FVAOWGDOJIQWDY-RLFYNMQTSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599470 1012392403 /nfs/dbraw/zinc/39/24/03/1012392403.db2.gz FVAOWGDOJIQWDY-RLFYNMQTSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000523866579 1012563209 /nfs/dbraw/zinc/56/32/09/1012563209.db2.gz QXAFRYIQENXDFH-OAQYLSRUSA-N 1 3 420.601 3.960 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919149 1012777827 /nfs/dbraw/zinc/77/78/27/1012777827.db2.gz UKXIEJQYSJCWLI-BEFAXECRSA-N 1 3 406.473 3.714 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919149 1012777843 /nfs/dbraw/zinc/77/78/43/1012777843.db2.gz UKXIEJQYSJCWLI-BEFAXECRSA-N 1 3 406.473 3.714 20 0 HHADHO CCCN(C(=S)NCC1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000760479612 1072387815 /nfs/dbraw/zinc/38/78/15/1072387815.db2.gz ZOVMSBFFRANOSC-QFIPXVFZSA-N 1 3 402.652 3.579 20 0 HHADHO CC(C)(C)OC(=O)N1C[C@H]2CN(C3CC[NH+](CC4CC4)CC3)C[C@@]2(C(F)(F)F)C1 ZINC001168377606 1072513348 /nfs/dbraw/zinc/51/33/48/1072513348.db2.gz FBVPTOKMHKWTTO-OXQOHEQNSA-N 1 3 417.516 3.592 20 0 HHADHO CC(C)(C)OC(=O)N1CC[C@@](C[NH2+]C2CCN(CC3CC3)CC2)(C(F)(F)F)C1 ZINC001168351572 1072532969 /nfs/dbraw/zinc/53/29/69/1072532969.db2.gz VIFCTFYLNUMISC-IBGZPJMESA-N 1 3 405.505 3.640 20 0 HHADHO O=C(C1=CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21)N1CCCC1 ZINC001168379535 1072669460 /nfs/dbraw/zinc/66/94/60/1072669460.db2.gz LQUKDTYLGUNUJJ-UHFFFAOYSA-N 1 3 419.613 3.914 20 0 HHADHO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380462 1072707711 /nfs/dbraw/zinc/70/77/11/1072707711.db2.gz SWBAGZPKPCDILD-DQEYMECFSA-N 1 3 413.606 3.652 20 0 HHADHO CN(C)Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)o1 ZINC000571824562 1072849493 /nfs/dbraw/zinc/84/94/93/1072849493.db2.gz CNHFLKBTSMACGK-UHFFFAOYSA-N 1 3 420.513 3.907 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594906 1072889668 /nfs/dbraw/zinc/88/96/68/1072889668.db2.gz DOJPFLMZKRCLCN-QTJGBDASSA-N 1 3 407.558 3.991 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001142594906 1072889679 /nfs/dbraw/zinc/88/96/79/1072889679.db2.gz DOJPFLMZKRCLCN-QTJGBDASSA-N 1 3 407.558 3.991 20 0 HHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000554919978 1072952802 /nfs/dbraw/zinc/95/28/02/1072952802.db2.gz QWJWXAOXNKDBSR-XMMPIXPASA-N 1 3 414.638 3.705 20 0 HHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000554919978 1072952809 /nfs/dbraw/zinc/95/28/09/1072952809.db2.gz QWJWXAOXNKDBSR-XMMPIXPASA-N 1 3 414.638 3.705 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656450 1073104976 /nfs/dbraw/zinc/10/49/76/1073104976.db2.gz NZEMIPKYWGNINM-SFTDATJTSA-N 1 3 415.622 3.878 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1)C(C)C ZINC000588656450 1073104978 /nfs/dbraw/zinc/10/49/78/1073104978.db2.gz NZEMIPKYWGNINM-SFTDATJTSA-N 1 3 415.622 3.878 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000588709779 1073155414 /nfs/dbraw/zinc/15/54/14/1073155414.db2.gz DLLNLQTXJZFEMQ-IAGOWNOFSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000588709779 1073155415 /nfs/dbraw/zinc/15/54/15/1073155415.db2.gz DLLNLQTXJZFEMQ-IAGOWNOFSA-N 1 3 400.485 3.949 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(c4ccc(Cl)cc4)CCC3)CC2)CC1 ZINC000588976735 1073367745 /nfs/dbraw/zinc/36/77/45/1073367745.db2.gz WELYYKHJIPJTNW-UHFFFAOYSA-N 1 3 419.013 3.620 20 0 HHADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000592489827 1074769205 /nfs/dbraw/zinc/76/92/05/1074769205.db2.gz BLAKHBAGHWMLKA-GOSISDBHSA-N 1 3 407.002 3.726 20 0 HHADHO CN(Cc1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840922 720716703 /nfs/dbraw/zinc/71/67/03/720716703.db2.gz SPWXUAICMLDATF-DEOSSOPVSA-N 1 3 420.601 3.936 20 0 HHADHO CN(Cc1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1)C1CC1 ZINC001164840922 720716711 /nfs/dbraw/zinc/71/67/11/720716711.db2.gz SPWXUAICMLDATF-DEOSSOPVSA-N 1 3 420.601 3.936 20 0 HHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877604 721180487 /nfs/dbraw/zinc/18/04/87/721180487.db2.gz OYLSTQXREXUXCO-WXFUMESZSA-N 1 3 421.589 3.503 20 0 HHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164877604 721180506 /nfs/dbraw/zinc/18/05/06/721180506.db2.gz OYLSTQXREXUXCO-WXFUMESZSA-N 1 3 421.589 3.503 20 0 HHADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621822 1013167669 /nfs/dbraw/zinc/16/76/69/1013167669.db2.gz IOZQAIQTHJANDA-RDGATRHJSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621822 1013167677 /nfs/dbraw/zinc/16/76/77/1013167677.db2.gz IOZQAIQTHJANDA-RDGATRHJSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621822 1013167685 /nfs/dbraw/zinc/16/76/85/1013167685.db2.gz IOZQAIQTHJANDA-RDGATRHJSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000537623006 1013171315 /nfs/dbraw/zinc/17/13/15/1013171315.db2.gz UAEIWJCCDLLHSK-UHFFFAOYSA-N 1 3 402.970 3.911 20 0 HHADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000537706375 1013272437 /nfs/dbraw/zinc/27/24/37/1013272437.db2.gz OKKZNFXGTQKMMD-UHFFFAOYSA-N 1 3 421.585 3.782 20 0 HHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000537728015 1013288570 /nfs/dbraw/zinc/28/85/70/1013288570.db2.gz FSEKTMOTJVDMJA-XMMPIXPASA-N 1 3 407.558 3.858 20 0 HHADHO Fc1ccc([C@@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)cc1 ZINC000542476026 1013423404 /nfs/dbraw/zinc/42/34/04/1013423404.db2.gz SEDVCIYXVQKJHY-XMMPIXPASA-N 1 3 405.521 3.507 20 0 HHADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000537873741 1013449079 /nfs/dbraw/zinc/44/90/79/1013449079.db2.gz AHVHPECZWYNPOA-DEOSSOPVSA-N 1 3 421.589 3.652 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000050799618 964401376 /nfs/dbraw/zinc/40/13/76/964401376.db2.gz NVFRVIOAGRITKW-UHFFFAOYSA-N 1 3 403.636 3.751 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000537986597 1013561731 /nfs/dbraw/zinc/56/17/31/1013561731.db2.gz KCBBKTMDSKWDKB-TUSQITKMSA-N 1 3 401.639 3.796 20 0 HHADHO COc1c(Br)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Br ZINC000037409508 966474403 /nfs/dbraw/zinc/47/44/03/966474403.db2.gz MKSGMRRCEOXPST-LLVKDONJSA-N 1 3 418.173 3.794 20 0 HHADHO CC(C)(CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000061521656 966487818 /nfs/dbraw/zinc/48/78/18/966487818.db2.gz FIZHTHYFKWUTFN-UHFFFAOYSA-N 1 3 420.601 3.919 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000061791946 966555429 /nfs/dbraw/zinc/55/54/29/966555429.db2.gz NCVLLQIBJIQZAZ-UHFFFAOYSA-N 1 3 416.635 3.760 20 0 HHADHO CC1CC[NH+](CCCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000061792945 966557019 /nfs/dbraw/zinc/55/70/19/966557019.db2.gz TZUBNDZIRLAOEM-UHFFFAOYSA-N 1 3 404.624 3.521 20 0 HHADHO S=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000063148184 966762309 /nfs/dbraw/zinc/76/23/09/966762309.db2.gz KOVABXCSJWBQNH-UHFFFAOYSA-N 1 3 422.642 3.911 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063149980 966762975 /nfs/dbraw/zinc/76/29/75/966762975.db2.gz JIPSFQHRHNQSMK-UHFFFAOYSA-N 1 3 416.679 3.969 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063149980 966762979 /nfs/dbraw/zinc/76/29/79/966762979.db2.gz JIPSFQHRHNQSMK-UHFFFAOYSA-N 1 3 416.679 3.969 20 0 HHADHO COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1 ZINC000063407414 966846686 /nfs/dbraw/zinc/84/66/86/966846686.db2.gz DCYRNHHQBYAJEC-DEOSSOPVSA-N 1 3 424.589 3.509 20 0 HHADHO CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1 ZINC000538274952 1013815033 /nfs/dbraw/zinc/81/50/33/1013815033.db2.gz OFROVAKQYGHVEV-QFIPXVFZSA-N 1 3 413.606 3.991 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)C[C@@H](C)O1 ZINC000112664909 969822816 /nfs/dbraw/zinc/82/28/16/969822816.db2.gz JIFVIOJYTQDNKK-IAGOWNOFSA-N 1 3 418.969 3.754 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(c4c[nH]c5ccccc54)CC3)CC2)CC1 ZINC000215985598 970058649 /nfs/dbraw/zinc/05/86/49/970058649.db2.gz YPVYWLYNBQMHKZ-UHFFFAOYSA-N 1 3 423.605 3.616 20 0 HHADHO Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cn2)cc1 ZINC000215996181 970059719 /nfs/dbraw/zinc/05/97/19/970059719.db2.gz YVDSKSXEQWJSIF-UHFFFAOYSA-N 1 3 423.561 3.862 20 0 HHADHO c1nn(-c2ccccc2)cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000236698900 970157814 /nfs/dbraw/zinc/15/78/14/970157814.db2.gz FNKQFBLPUVGZNB-UHFFFAOYSA-N 1 3 403.574 3.560 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000554462046 1013958165 /nfs/dbraw/zinc/95/81/65/1013958165.db2.gz MJKAMNJBUDZHAT-VEXUSMLFSA-N 1 3 424.589 3.823 20 0 HHADHO CN1CCC([NH+]2CCC(NCC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)CC1 ZINC000237070347 970217340 /nfs/dbraw/zinc/21/73/40/970217340.db2.gz XRZWUUSCERJBJO-UHFFFAOYSA-N 1 3 410.389 3.917 20 0 HHADHO CN1CCC([NH+]2CCC(NCc3cc4ccccc4nc3N3CCCCC3)CC2)CC1 ZINC000237119544 970225526 /nfs/dbraw/zinc/22/55/26/970225526.db2.gz QDRHOJKZGHQZNY-UHFFFAOYSA-N 1 3 421.633 3.873 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145601076 970266373 /nfs/dbraw/zinc/26/63/73/970266373.db2.gz UFSPHZMROIADIS-NHCUHLMSSA-N 1 3 416.679 3.873 20 0 HHADHO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237403618 970278326 /nfs/dbraw/zinc/27/83/26/970278326.db2.gz VYDHIETWLMNESR-QZTJIDSGSA-N 1 3 404.986 3.872 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000237607805 970321130 /nfs/dbraw/zinc/32/11/30/970321130.db2.gz CIMYIGPXIOEZOC-IYBDPMFKSA-N 1 3 409.368 3.704 20 0 HHADHO Cc1cn2c(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c(C)nc2s1 ZINC000237916590 970394113 /nfs/dbraw/zinc/39/41/13/970394113.db2.gz IKCHKSVWYQUZHA-UHFFFAOYSA-N 1 3 411.619 3.700 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000195614943 970557813 /nfs/dbraw/zinc/55/78/13/970557813.db2.gz XWGUUOPZAGNVJO-KNQAVFIVSA-N 1 3 416.610 3.642 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000195614943 970557827 /nfs/dbraw/zinc/55/78/27/970557827.db2.gz XWGUUOPZAGNVJO-KNQAVFIVSA-N 1 3 416.610 3.642 20 0 HHADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1C(F)(F)F ZINC000303951805 972533704 /nfs/dbraw/zinc/53/37/04/972533704.db2.gz TYVFGDWGTBAHSU-INIZCTEOSA-N 1 3 411.512 3.874 20 0 HHADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC000410347332 973935222 /nfs/dbraw/zinc/93/52/22/973935222.db2.gz AZNJVDDERIDKTD-VWLOTQADSA-N 1 3 420.601 3.992 20 0 HHADHO CN1CCC(Oc2ccc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)cn2)CC1 ZINC000428790646 976065347 /nfs/dbraw/zinc/06/53/47/976065347.db2.gz RDXZGIKLIIJMHH-UHFFFAOYSA-N 1 3 422.573 3.795 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497572 976754597 /nfs/dbraw/zinc/75/45/97/976754597.db2.gz QXZQFUSAXLZNKN-OIBXWCBGSA-N 1 3 414.638 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497572 976754607 /nfs/dbraw/zinc/75/46/07/976754607.db2.gz QXZQFUSAXLZNKN-OIBXWCBGSA-N 1 3 414.638 3.974 20 0 HHADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429504485 976760362 /nfs/dbraw/zinc/76/03/62/976760362.db2.gz QJWVYEPEAIHUHE-QHCPKHFHSA-N 1 3 414.638 3.975 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430219265 977398900 /nfs/dbraw/zinc/39/89/00/977398900.db2.gz OJIHQQXUYNUELC-RUZDIDTESA-N 1 3 424.589 3.940 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430219265 977398915 /nfs/dbraw/zinc/39/89/15/977398915.db2.gz OJIHQQXUYNUELC-RUZDIDTESA-N 1 3 424.589 3.940 20 0 HHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCSC2(CCCCC2)C1 ZINC000430758651 977735495 /nfs/dbraw/zinc/73/54/95/977735495.db2.gz BAQRLWDXRAHZKY-HXUWFJFHSA-N 1 3 415.647 3.907 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828634 977784549 /nfs/dbraw/zinc/78/45/49/977784549.db2.gz BXGZBILIQYUYHZ-AGILITTLSA-N 1 3 412.574 3.558 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430828634 977784565 /nfs/dbraw/zinc/78/45/65/977784565.db2.gz BXGZBILIQYUYHZ-AGILITTLSA-N 1 3 412.574 3.558 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688903 978436611 /nfs/dbraw/zinc/43/66/11/978436611.db2.gz FRATYHAYORYRJH-HUVFLSCGSA-N 1 3 406.574 3.613 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688903 978436615 /nfs/dbraw/zinc/43/66/15/978436615.db2.gz FRATYHAYORYRJH-HUVFLSCGSA-N 1 3 406.574 3.613 20 0 HHADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000431787870 978513848 /nfs/dbraw/zinc/51/38/48/978513848.db2.gz YAXBVUUZSYHDMN-HXUWFJFHSA-N 1 3 407.986 3.564 20 0 HHADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000431787870 978513850 /nfs/dbraw/zinc/51/38/50/978513850.db2.gz YAXBVUUZSYHDMN-HXUWFJFHSA-N 1 3 407.986 3.564 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000436399229 981348645 /nfs/dbraw/zinc/34/86/45/981348645.db2.gz ILKRJISRIIJDQO-TZIWHRDSSA-N 1 3 413.528 3.792 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000448475403 981818333 /nfs/dbraw/zinc/81/83/33/981818333.db2.gz SOXOGNLOMRYLCT-QFIPXVFZSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000448475403 981818340 /nfs/dbraw/zinc/81/83/40/981818340.db2.gz SOXOGNLOMRYLCT-QFIPXVFZSA-N 1 3 400.611 3.660 20 0 HHADHO C[NH+](C)CC1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000460185650 981959151 /nfs/dbraw/zinc/95/91/51/981959151.db2.gz CTIWOHLSGXLVMI-UHFFFAOYSA-N 1 3 422.013 3.812 20 0 HHADHO Cc1ccc(C)n1-c1sccc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000461293707 982993404 /nfs/dbraw/zinc/99/34/04/982993404.db2.gz MCTRBIFRRKTXSA-UHFFFAOYSA-N 1 3 414.619 3.836 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461433716 983096823 /nfs/dbraw/zinc/09/68/23/983096823.db2.gz WSZVCXHZQRLTCJ-DSITVLBTSA-N 1 3 403.570 3.632 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461433716 983096832 /nfs/dbraw/zinc/09/68/32/983096832.db2.gz WSZVCXHZQRLTCJ-DSITVLBTSA-N 1 3 403.570 3.632 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433721 983097066 /nfs/dbraw/zinc/09/70/66/983097066.db2.gz WSZVCXHZQRLTCJ-SDHSZQHLSA-N 1 3 403.570 3.632 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433721 983097070 /nfs/dbraw/zinc/09/70/70/983097070.db2.gz WSZVCXHZQRLTCJ-SDHSZQHLSA-N 1 3 403.570 3.632 20 0 HHADHO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461446675 983111536 /nfs/dbraw/zinc/11/15/36/983111536.db2.gz LGWDIEQKFINQDK-RBBKRZOGSA-N 1 3 423.523 3.775 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438965970 983183108 /nfs/dbraw/zinc/18/31/08/983183108.db2.gz LUDCDSLNHITOFR-HXUWFJFHSA-N 1 3 423.605 3.948 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000438974888 983189307 /nfs/dbraw/zinc/18/93/07/983189307.db2.gz PSNCSJNQBCPAND-HXUWFJFHSA-N 1 3 421.589 3.702 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197785 983305777 /nfs/dbraw/zinc/30/57/77/983305777.db2.gz JCHPQPOQWPGDHR-RDPSFJRHSA-N 1 3 421.589 3.743 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439230501 983320539 /nfs/dbraw/zinc/32/05/39/983320539.db2.gz SAOLMVHWKIZKHE-ICSRJNTNSA-N 1 3 400.592 3.657 20 0 HHADHO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000439249973 983331625 /nfs/dbraw/zinc/33/16/25/983331625.db2.gz LFZAGWAKQIKREM-GOSISDBHSA-N 1 3 406.621 3.720 20 0 HHADHO C[NH+](C)CC1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000441616488 984357689 /nfs/dbraw/zinc/35/76/89/984357689.db2.gz VTDDZVSSHQZJRM-GRERDSQWSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532003 985480530 /nfs/dbraw/zinc/48/05/30/985480530.db2.gz XZPJQMQMJKICHY-HYBUGGRVSA-N 1 3 406.574 3.602 20 0 HHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000468060799 985719090 /nfs/dbraw/zinc/71/90/90/985719090.db2.gz SRIXPSLLVNFFJJ-DNVJHFABSA-N 1 3 409.574 3.988 20 0 HHADHO CC1CC[NH+](CCC[C@H](NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801257 985734158 /nfs/dbraw/zinc/73/41/58/985734158.db2.gz BLSAKQRDHYMQOE-XPWALMASSA-N 1 3 419.585 3.604 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000443698065 985911076 /nfs/dbraw/zinc/91/10/76/985911076.db2.gz ZIRZMHZTNQOSDR-MRXNPFEDSA-N 1 3 416.532 3.755 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(c3noc(C4CC4)n3)CC2)CC1 ZINC000463052016 986010685 /nfs/dbraw/zinc/01/06/85/986010685.db2.gz JSLJVBVFRKUKNA-UHFFFAOYSA-N 1 3 409.578 3.859 20 0 HHADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccc(C(F)(F)F)cc1 ZINC000463083808 986040855 /nfs/dbraw/zinc/04/08/55/986040855.db2.gz MDPMXWUXPHDSJY-NRFANRHFSA-N 1 3 422.491 3.742 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115168 986078178 /nfs/dbraw/zinc/07/81/78/986078178.db2.gz KKKCSNDYGXHOKD-GBXCKJPGSA-N 1 3 423.601 3.705 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463115168 986078199 /nfs/dbraw/zinc/07/81/99/986078199.db2.gz KKKCSNDYGXHOKD-GBXCKJPGSA-N 1 3 423.601 3.705 20 0 HHADHO C[C@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000463278876 986246029 /nfs/dbraw/zinc/24/60/29/986246029.db2.gz DNEKXTNSPGJANG-IIYFGFMDSA-N 1 3 420.601 3.980 20 0 HHADHO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(CN2CCCC2)c1 ZINC000444558958 986750877 /nfs/dbraw/zinc/75/08/77/986750877.db2.gz WQNYMQWQVWOYLH-UHFFFAOYSA-N 1 3 407.558 3.739 20 0 HHADHO C[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000444738233 986906410 /nfs/dbraw/zinc/90/64/10/986906410.db2.gz RRXAXBVAKYXBCU-KXBFYZLASA-N 1 3 404.352 3.519 20 0 HHADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206449 986929752 /nfs/dbraw/zinc/92/97/52/986929752.db2.gz WQCFKQUSBKUMNH-JOCHJYFZSA-N 1 3 407.549 3.900 20 0 HHADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469206449 986929759 /nfs/dbraw/zinc/92/97/59/986929759.db2.gz WQCFKQUSBKUMNH-JOCHJYFZSA-N 1 3 407.549 3.900 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000469791559 987436205 /nfs/dbraw/zinc/43/62/05/987436205.db2.gz PSDPOYLFPMSDFL-OOSNJVJTSA-N 1 3 410.002 3.632 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccccc3F)C3CCCC3)CC2)CC1 ZINC000445517597 987574639 /nfs/dbraw/zinc/57/46/39/987574639.db2.gz DZXALYFVAZKWOB-HSZRJFAPSA-N 1 3 416.585 3.915 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000470742151 988781192 /nfs/dbraw/zinc/78/11/92/988781192.db2.gz GHOPWALDSVPSOI-QHCPKHFHSA-N 1 3 400.611 3.805 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755987 988797608 /nfs/dbraw/zinc/79/76/08/988797608.db2.gz NPLDVYFCJCDDQO-UXHICEINSA-N 1 3 404.624 3.648 20 0 HHADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900626 988975584 /nfs/dbraw/zinc/97/55/84/988975584.db2.gz QUOPFMZWXSBENT-XUZZJYLKSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900626 988975590 /nfs/dbraw/zinc/97/55/90/988975590.db2.gz QUOPFMZWXSBENT-XUZZJYLKSA-N 1 3 408.590 3.813 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3cccc(F)c3)C3CCCC3)CC2)CC1 ZINC000464949895 989244591 /nfs/dbraw/zinc/24/45/91/989244591.db2.gz OWHJIQDGDXCUBM-HSZRJFAPSA-N 1 3 416.585 3.915 20 0 HHADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211043 989560230 /nfs/dbraw/zinc/56/02/30/989560230.db2.gz OAUIXOURIFTMTH-CTNGQTDRSA-N 1 3 411.512 3.535 20 0 HHADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211043 989560234 /nfs/dbraw/zinc/56/02/34/989560234.db2.gz OAUIXOURIFTMTH-CTNGQTDRSA-N 1 3 411.512 3.535 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3cccc(F)c3)C3CCCC3)CC2)CC1 ZINC000465221619 989573427 /nfs/dbraw/zinc/57/34/27/989573427.db2.gz HOYSJNVJSXSHBH-UHFFFAOYSA-N 1 3 416.585 3.839 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509105 989707415 /nfs/dbraw/zinc/70/74/15/989707415.db2.gz ZBFKXVUNPNFPNA-SFTDATJTSA-N 1 3 412.603 3.706 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509105 989707419 /nfs/dbraw/zinc/70/74/19/989707419.db2.gz ZBFKXVUNPNFPNA-SFTDATJTSA-N 1 3 412.603 3.706 20 0 HHADHO C[NH+](C)C1(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCCCC1 ZINC000471523979 989723056 /nfs/dbraw/zinc/72/30/56/989723056.db2.gz VFOPTZSJCTZLEK-UHFFFAOYSA-N 1 3 418.548 3.746 20 0 HHADHO CC1CCN([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000465433169 989779630 /nfs/dbraw/zinc/77/96/30/989779630.db2.gz MMPJQOSJAHKPDJ-RAFMOHDBSA-N 1 3 404.624 3.836 20 0 HHADHO CC1CCN([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000465433169 989779638 /nfs/dbraw/zinc/77/96/38/989779638.db2.gz MMPJQOSJAHKPDJ-RAFMOHDBSA-N 1 3 404.624 3.836 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000465524804 989880740 /nfs/dbraw/zinc/88/07/40/989880740.db2.gz DGKPYSQZSGIPED-NOZRDPDXSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000465524804 989880745 /nfs/dbraw/zinc/88/07/45/989880745.db2.gz DGKPYSQZSGIPED-NOZRDPDXSA-N 1 3 420.601 3.987 20 0 HHADHO CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000471681885 989885137 /nfs/dbraw/zinc/88/51/37/989885137.db2.gz BKFVYCBOEWNDHH-HXUWFJFHSA-N 1 3 418.379 3.981 20 0 HHADHO C[C@@H]1CCC[C@@](CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713551 989911752 /nfs/dbraw/zinc/91/17/52/989911752.db2.gz FYPCQZDZMFGVRQ-CNXCKVANSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729381 989924904 /nfs/dbraw/zinc/92/49/04/989924904.db2.gz UQVJCABBBOOADP-SFLYRZDNSA-N 1 3 406.574 3.643 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729381 989924911 /nfs/dbraw/zinc/92/49/11/989924911.db2.gz UQVJCABBBOOADP-SFLYRZDNSA-N 1 3 406.574 3.643 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589814 989967210 /nfs/dbraw/zinc/96/72/10/989967210.db2.gz DLUPVXMHXNQRNZ-VXKWHMMOSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589814 989967218 /nfs/dbraw/zinc/96/72/18/989967218.db2.gz DLUPVXMHXNQRNZ-VXKWHMMOSA-N 1 3 400.611 3.805 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711158 990096924 /nfs/dbraw/zinc/09/69/24/990096924.db2.gz GQLACGJOHPVKSC-GOTSBHOMSA-N 1 3 400.611 3.975 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711158 990096934 /nfs/dbraw/zinc/09/69/34/990096934.db2.gz GQLACGJOHPVKSC-GOTSBHOMSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000466437289 991726148 /nfs/dbraw/zinc/72/61/48/991726148.db2.gz AEWVOCQNRBJSFX-HYBUGGRVSA-N 1 3 406.574 3.745 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000467403610 992710862 /nfs/dbraw/zinc/71/08/62/992710862.db2.gz WYHQWQBEZYARPM-NRFANRHFSA-N 1 3 424.427 3.534 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000467544710 992824194 /nfs/dbraw/zinc/82/41/94/992824194.db2.gz XAGXZXXPFFYMGD-JOCHJYFZSA-N 1 3 420.601 3.541 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3cccc(N4CCOCC4)c3)cc2)CC1 ZINC000480724202 993592249 /nfs/dbraw/zinc/59/22/49/993592249.db2.gz AVVSARSSYVLUJM-JOCHJYFZSA-N 1 3 422.617 3.512 20 0 HHADHO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)ccc1OC(F)F ZINC000480738119 993604702 /nfs/dbraw/zinc/60/47/02/993604702.db2.gz JWOPOOOVHAFELL-AWEZNQCLSA-N 1 3 410.896 3.939 20 0 HHADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769016 993633831 /nfs/dbraw/zinc/63/38/31/993633831.db2.gz HSYLNLIRTACIJN-RTBURBONSA-N 1 3 419.635 3.823 20 0 HHADHO Cc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780545 993647095 /nfs/dbraw/zinc/64/70/95/993647095.db2.gz QUMRUYGVYHDMHN-RZFJZAQRSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)c1 ZINC000480780545 993647101 /nfs/dbraw/zinc/64/71/01/993647101.db2.gz QUMRUYGVYHDMHN-RZFJZAQRSA-N 1 3 407.602 3.869 20 0 HHADHO CCS[C@H]1CCCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000480954598 993795000 /nfs/dbraw/zinc/79/50/00/993795000.db2.gz HGNITLOJGFTNMH-QFIPXVFZSA-N 1 3 403.636 3.683 20 0 HHADHO Cc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331580 994151356 /nfs/dbraw/zinc/15/13/56/994151356.db2.gz HLXYNLQBXWXWCZ-OALUTQOASA-N 1 3 403.592 3.637 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824155 994753114 /nfs/dbraw/zinc/75/31/14/994753114.db2.gz UHLZRYBTZHWWFX-OAQYLSRUSA-N 1 3 423.605 3.861 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000473824155 994753125 /nfs/dbraw/zinc/75/31/25/994753125.db2.gz UHLZRYBTZHWWFX-OAQYLSRUSA-N 1 3 423.605 3.861 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC000473827122 994757105 /nfs/dbraw/zinc/75/71/05/994757105.db2.gz HEFULTRMYRKIEM-OYRHEFFESA-N 1 3 415.626 3.708 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC000473827122 994757115 /nfs/dbraw/zinc/75/71/15/994757115.db2.gz HEFULTRMYRKIEM-OYRHEFFESA-N 1 3 415.626 3.708 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N3CC[NH+](C4CCC(C)CC4)CC3)c2)CC1 ZINC000473840836 994776307 /nfs/dbraw/zinc/77/63/07/994776307.db2.gz QTJICBBXDIYMAB-UHFFFAOYSA-N 1 3 413.610 3.557 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071960 995058437 /nfs/dbraw/zinc/05/84/37/995058437.db2.gz HNUHIAPUOJZSOV-GBXCKJPGSA-N 1 3 421.585 3.905 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474071960 995058448 /nfs/dbraw/zinc/05/84/48/995058448.db2.gz HNUHIAPUOJZSOV-GBXCKJPGSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134351 995084553 /nfs/dbraw/zinc/08/45/53/995084553.db2.gz LOJLPGKCECOANF-MSOLQXFVSA-N 1 3 421.632 3.561 20 0 HHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134351 995084558 /nfs/dbraw/zinc/08/45/58/995084558.db2.gz LOJLPGKCECOANF-MSOLQXFVSA-N 1 3 421.632 3.561 20 0 HHADHO COc1c(Br)cccc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000482143243 995094118 /nfs/dbraw/zinc/09/41/18/995094118.db2.gz OLJVMKWQEQRJTK-UHFFFAOYSA-N 1 3 411.384 3.782 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000474248631 995246096 /nfs/dbraw/zinc/24/60/96/995246096.db2.gz LKAJRNYEKXOHCG-UHFFFAOYSA-N 1 3 416.997 3.697 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000474518972 995482394 /nfs/dbraw/zinc/48/23/94/995482394.db2.gz WTYULBZKTWMCCJ-BSRHZMJTSA-N 1 3 422.617 3.916 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000474518972 995482399 /nfs/dbraw/zinc/48/23/99/995482399.db2.gz WTYULBZKTWMCCJ-BSRHZMJTSA-N 1 3 422.617 3.916 20 0 HHADHO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000482545833 995554186 /nfs/dbraw/zinc/55/41/86/995554186.db2.gz ZZSIUXHJRJQHRJ-NZQKXSOJSA-N 1 3 409.574 3.812 20 0 HHADHO COc1cc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc(OC)c1OC ZINC000482563511 995569208 /nfs/dbraw/zinc/56/92/08/995569208.db2.gz WMDXMKHANJVHGG-QGZVFWFLSA-N 1 3 414.546 3.520 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474732772 995666812 /nfs/dbraw/zinc/66/68/12/995666812.db2.gz DDJICTKWSJAZCI-AWEZNQCLSA-N 1 3 422.333 3.831 20 0 HHADHO CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475003582 995860045 /nfs/dbraw/zinc/86/00/45/995860045.db2.gz PEBFTSGLXHADFR-JOCHJYFZSA-N 1 3 424.593 3.587 20 0 HHADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475165245 995965287 /nfs/dbraw/zinc/96/52/87/995965287.db2.gz RBKFCPYAKGNJDD-XZOQPEGZSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475165245 995965292 /nfs/dbraw/zinc/96/52/92/995965292.db2.gz RBKFCPYAKGNJDD-XZOQPEGZSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475171225 995969683 /nfs/dbraw/zinc/96/96/83/995969683.db2.gz DAOVPPXWINEYOZ-XMMPIXPASA-N 1 3 421.589 3.604 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475177580 995974403 /nfs/dbraw/zinc/97/44/03/995974403.db2.gz ZHPSMHQFLDZSEB-FYYLOGMGSA-N 1 3 400.611 3.947 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475177580 995974414 /nfs/dbraw/zinc/97/44/14/995974414.db2.gz ZHPSMHQFLDZSEB-FYYLOGMGSA-N 1 3 400.611 3.947 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483199151 996033116 /nfs/dbraw/zinc/03/31/16/996033116.db2.gz RUCTWECZWSOTIB-HXUWFJFHSA-N 1 3 401.620 3.871 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483199151 996033120 /nfs/dbraw/zinc/03/31/20/996033120.db2.gz RUCTWECZWSOTIB-HXUWFJFHSA-N 1 3 401.620 3.871 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266035 996033912 /nfs/dbraw/zinc/03/39/12/996033912.db2.gz CZXFPSWHFRSMNP-IEZKXTBUSA-N 1 3 420.601 3.955 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266035 996033917 /nfs/dbraw/zinc/03/39/17/996033917.db2.gz CZXFPSWHFRSMNP-IEZKXTBUSA-N 1 3 420.601 3.955 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475290196 996048223 /nfs/dbraw/zinc/04/82/23/996048223.db2.gz GTVQBWGWKBPHMX-ZODMCCGTSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475290196 996048228 /nfs/dbraw/zinc/04/82/28/996048228.db2.gz GTVQBWGWKBPHMX-ZODMCCGTSA-N 1 3 420.601 3.813 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c(C)c2)CC1 ZINC000483436705 996177946 /nfs/dbraw/zinc/17/79/46/996177946.db2.gz DRGIRUDZJNDGDH-UHFFFAOYSA-N 1 3 413.610 3.665 20 0 HHADHO OC[C@@]1(Cc2ccccc2)CCCN1CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668417 996288700 /nfs/dbraw/zinc/28/87/00/996288700.db2.gz QTISGTIDNITHFG-SVBPBHIXSA-N 1 3 422.613 3.516 20 0 HHADHO OC[C@@]1(Cc2ccccc2)CCCN1CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475668417 996288705 /nfs/dbraw/zinc/28/87/05/996288705.db2.gz QTISGTIDNITHFG-SVBPBHIXSA-N 1 3 422.613 3.516 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705950 996339467 /nfs/dbraw/zinc/33/94/67/996339467.db2.gz DDIOXJQQPUQPKK-RCZSKKKRSA-N 1 3 404.599 3.592 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1cccc(OC)c1 ZINC000483705950 996339470 /nfs/dbraw/zinc/33/94/70/996339470.db2.gz DDIOXJQQPUQPKK-RCZSKKKRSA-N 1 3 404.599 3.592 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814924 996405486 /nfs/dbraw/zinc/40/54/86/996405486.db2.gz HCZXCNZOQYKJHE-ZWOKBUDYSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000483814924 996405492 /nfs/dbraw/zinc/40/54/92/996405492.db2.gz HCZXCNZOQYKJHE-ZWOKBUDYSA-N 1 3 413.400 3.943 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000476849597 997416609 /nfs/dbraw/zinc/41/66/09/997416609.db2.gz VFIBBEDCJDFBQK-XMMPIXPASA-N 1 3 424.589 3.783 20 0 HHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000477534399 998253271 /nfs/dbraw/zinc/25/32/71/998253271.db2.gz JSPNJCARWBJDMT-IBGZPJMESA-N 1 3 415.603 3.601 20 0 HHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000477534399 998253287 /nfs/dbraw/zinc/25/32/87/998253287.db2.gz JSPNJCARWBJDMT-IBGZPJMESA-N 1 3 415.603 3.601 20 0 HHADHO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(Nc2ccncc2)cc1 ZINC000477757422 998504581 /nfs/dbraw/zinc/50/45/81/998504581.db2.gz ULMQKBSIKZGHER-UHFFFAOYSA-N 1 3 416.525 3.704 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000478326538 998889953 /nfs/dbraw/zinc/88/99/53/998889953.db2.gz MUMZTXVIWGBHNB-UHFFFAOYSA-N 1 3 421.545 3.672 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024706 999039815 /nfs/dbraw/zinc/03/98/15/999039815.db2.gz ADNAMLYLFKREKD-OYDLWJJNSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000487024706 999039818 /nfs/dbraw/zinc/03/98/18/999039818.db2.gz ADNAMLYLFKREKD-OYDLWJJNSA-N 1 3 408.590 3.808 20 0 HHADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274661 999120995 /nfs/dbraw/zinc/12/09/95/999120995.db2.gz VBXPAAANNSKERL-WOJBJXKFSA-N 1 3 422.495 3.953 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000478830376 999164361 /nfs/dbraw/zinc/16/43/61/999164361.db2.gz KHKKYOGSWAONNX-UGKGYDQZSA-N 1 3 412.578 3.715 20 0 HHADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368549 999407151 /nfs/dbraw/zinc/40/71/51/999407151.db2.gz ZIJWFUNUWLNQDI-QWHCGFSZSA-N 1 3 410.411 3.802 20 0 HHADHO C[N@H+](CCNC(=O)C1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1)Cc1ccccc1 ZINC000488329053 999442788 /nfs/dbraw/zinc/44/27/88/999442788.db2.gz GGRISSCJDUPRAZ-UHFFFAOYSA-N 1 3 422.548 3.767 20 0 HHADHO C[N@@H+](CCNC(=O)C1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1)Cc1ccccc1 ZINC000488329053 999442794 /nfs/dbraw/zinc/44/27/94/999442794.db2.gz GGRISSCJDUPRAZ-UHFFFAOYSA-N 1 3 422.548 3.767 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333068 999747278 /nfs/dbraw/zinc/74/72/78/999747278.db2.gz PXICZLVFBLCJEJ-JWQCQUIFSA-N 1 3 420.601 3.957 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000489333068 999747281 /nfs/dbraw/zinc/74/72/81/999747281.db2.gz PXICZLVFBLCJEJ-JWQCQUIFSA-N 1 3 420.601 3.957 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000489403529 999759715 /nfs/dbraw/zinc/75/97/15/999759715.db2.gz NSQNZGHSPRUZRH-DEOSSOPVSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387206 999786581 /nfs/dbraw/zinc/78/65/81/999786581.db2.gz DOUWMPFSYKPRKP-VHCQPULKSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387206 999786584 /nfs/dbraw/zinc/78/65/84/999786584.db2.gz DOUWMPFSYKPRKP-VHCQPULKSA-N 1 3 408.586 3.878 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543434 999788557 /nfs/dbraw/zinc/78/85/57/999788557.db2.gz GXGDHXYLPJPRNE-QPPBQGQZSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543434 999788558 /nfs/dbraw/zinc/78/85/58/999788558.db2.gz GXGDHXYLPJPRNE-QPPBQGQZSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000489543439 999788797 /nfs/dbraw/zinc/78/87/97/999788797.db2.gz GXGDHXYLPJPRNE-XUZZJYLKSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000489543439 999788798 /nfs/dbraw/zinc/78/87/98/999788798.db2.gz GXGDHXYLPJPRNE-XUZZJYLKSA-N 1 3 408.590 3.813 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604395 999838663 /nfs/dbraw/zinc/83/86/63/999838663.db2.gz BELAAQRMGIHKCL-RTWAWAEBSA-N 1 3 421.589 3.590 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604396 999838680 /nfs/dbraw/zinc/83/86/80/999838680.db2.gz BELAAQRMGIHKCL-SFTDATJTSA-N 1 3 421.589 3.590 20 0 HHADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000480632426 999845984 /nfs/dbraw/zinc/84/59/84/999845984.db2.gz CCIWGGBWGLJINI-LJQANCHMSA-N 1 3 404.624 3.664 20 0 HHADHO CC[NH+]1CCC(NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)CC1 ZINC000489898594 999858233 /nfs/dbraw/zinc/85/82/33/999858233.db2.gz JWSKKCAMMAWPDJ-UHFFFAOYSA-N 1 3 408.590 3.815 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](CCCc2cccc(F)c2)CC1)Cc1ccccc1 ZINC000490011349 999877161 /nfs/dbraw/zinc/87/71/61/999877161.db2.gz FVYDVTATQUXSDV-UHFFFAOYSA-N 1 3 411.565 3.719 20 0 HHADHO COc1ccc([C@H](NCc2ccnc(N3CC[NH+](C)CC3)c2)c2ccc(F)cc2)cc1 ZINC000490131059 999897705 /nfs/dbraw/zinc/89/77/05/999897705.db2.gz SDKPFWJTHXPSCH-RUZDIDTESA-N 1 3 420.532 3.860 20 0 HHADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490940539 1000026012 /nfs/dbraw/zinc/02/60/12/1000026012.db2.gz SXMSURRQBDLKLU-VAMGGRTRSA-N 1 3 418.651 3.766 20 0 HHADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490940530 1000026051 /nfs/dbraw/zinc/02/60/51/1000026051.db2.gz SXMSURRQBDLKLU-AQNXPRMDSA-N 1 3 418.651 3.766 20 0 HHADHO OCC[NH+]1CCC(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000491035915 1000037671 /nfs/dbraw/zinc/03/76/71/1000037671.db2.gz KPLHYJYFCBSQTI-OAQYLSRUSA-N 1 3 421.354 3.972 20 0 HHADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494309065 1000424477 /nfs/dbraw/zinc/42/44/77/1000424477.db2.gz IXOCXANWBGECKJ-UHFFFAOYSA-N 1 3 409.759 3.539 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923571 1000732185 /nfs/dbraw/zinc/73/21/85/1000732185.db2.gz LYFZBCVZEVVLJW-DHLKQENFSA-N 1 3 411.565 3.831 20 0 HHADHO CCc1c(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cnn1CCC(C)C ZINC000494943168 1000744612 /nfs/dbraw/zinc/74/46/12/1000744612.db2.gz UMCFPTQOHFATRU-UHFFFAOYSA-N 1 3 418.630 3.563 20 0 HHADHO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000505590074 1000923460 /nfs/dbraw/zinc/92/34/60/1000923460.db2.gz DLJUUNKUMXGIPP-CVDCTZTESA-N 1 3 419.573 3.533 20 0 HHADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000506016050 1001164768 /nfs/dbraw/zinc/16/47/68/1001164768.db2.gz CMIQRRJDOIHYQW-NRFANRHFSA-N 1 3 401.501 3.522 20 0 HHADHO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506052051 1001193143 /nfs/dbraw/zinc/19/31/43/1001193143.db2.gz QLGNIOOLUNYKEM-GOSISDBHSA-N 1 3 407.986 3.800 20 0 HHADHO C[C@H]1CCc2[nH]c3ccc(C(=O)NC4CCN(C5CC[NH+](C)CC5)CC4)cc3c2C1 ZINC000497425285 1001357366 /nfs/dbraw/zinc/35/73/66/1001357366.db2.gz LLFZYIHWTOWUQK-KRWDZBQOSA-N 1 3 408.590 3.581 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511231 1001446100 /nfs/dbraw/zinc/44/61/00/1001446100.db2.gz OKPMWSSVXHDMJE-TZIWHRDSSA-N 1 3 407.549 3.915 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511231 1001446102 /nfs/dbraw/zinc/44/61/02/1001446102.db2.gz OKPMWSSVXHDMJE-TZIWHRDSSA-N 1 3 407.549 3.915 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000497611013 1001458160 /nfs/dbraw/zinc/45/81/60/1001458160.db2.gz LFRJWBQZOILHIM-DVECYGJZSA-N 1 3 424.589 3.823 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952212 1001725304 /nfs/dbraw/zinc/72/53/04/1001725304.db2.gz NUKVCIOAFQTVDI-FGZHOGPDSA-N 1 3 412.622 3.731 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000506952212 1001725307 /nfs/dbraw/zinc/72/53/07/1001725307.db2.gz NUKVCIOAFQTVDI-FGZHOGPDSA-N 1 3 412.622 3.731 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507518350 1002128526 /nfs/dbraw/zinc/12/85/26/1002128526.db2.gz CPWSJIYBEHIKLD-TUACAJSNSA-N 1 3 417.553 3.563 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)N1Cc2ccccc2C1 ZINC000507522679 1002131500 /nfs/dbraw/zinc/13/15/00/1002131500.db2.gz BNCIZNLPVSJOMA-CCDWMCETSA-N 1 3 403.570 3.809 20 0 HHADHO CC(C)c1ccc(C[C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000499482813 1002869206 /nfs/dbraw/zinc/86/92/06/1002869206.db2.gz FGFAOZFSLHGKOE-LJQANCHMSA-N 1 3 400.611 3.599 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccccc3)CC(C)(C)C)CC2)CC1 ZINC000508563100 1003031944 /nfs/dbraw/zinc/03/19/44/1003031944.db2.gz IJQWWYMTVIZSTG-UHFFFAOYSA-N 1 3 400.611 3.803 20 0 HHADHO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCC1(O)CC[NH+](C)CC1 ZINC000499705176 1003054509 /nfs/dbraw/zinc/05/45/09/1003054509.db2.gz NETOCVKBJBKRHV-UHFFFAOYSA-N 1 3 424.520 3.658 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000500130013 1003491013 /nfs/dbraw/zinc/49/10/13/1003491013.db2.gz BTDUTTHCUXEWRN-UHFFFAOYSA-N 1 3 408.590 3.776 20 0 HHADHO C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000509020029 1003492198 /nfs/dbraw/zinc/49/21/98/1003492198.db2.gz BHIOQPYHARNIQS-UKILVPOCSA-N 1 3 406.618 3.699 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137292 1003497258 /nfs/dbraw/zinc/49/72/58/1003497258.db2.gz APELLRRKFKZSSU-NZQKXSOJSA-N 1 3 418.626 3.744 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137292 1003497263 /nfs/dbraw/zinc/49/72/63/1003497263.db2.gz APELLRRKFKZSSU-NZQKXSOJSA-N 1 3 418.626 3.744 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(C)CCCN(C)Cc3ccco3)CC2)CC1 ZINC000500607428 1003824849 /nfs/dbraw/zinc/82/48/49/1003824849.db2.gz LMYWHSIOSANYKY-UHFFFAOYSA-N 1 3 404.599 3.786 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@@H](CN(C)C)c3ccc(F)cc3)CC2)CC1 ZINC000500608550 1003825547 /nfs/dbraw/zinc/82/55/47/1003825547.db2.gz NBGYFVQVLIXLDT-HRTMPFAESA-N 1 3 404.574 3.771 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c(OC)c1 ZINC000512324792 1004217626 /nfs/dbraw/zinc/21/76/26/1004217626.db2.gz SKTQBFKOHQWZHH-BZSNNMDCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324792 1004217635 /nfs/dbraw/zinc/21/76/35/1004217635.db2.gz SKTQBFKOHQWZHH-BZSNNMDCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324792 1004217639 /nfs/dbraw/zinc/21/76/39/1004217639.db2.gz SKTQBFKOHQWZHH-BZSNNMDCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c(OC)c1 ZINC000512324796 1004217753 /nfs/dbraw/zinc/21/77/53/1004217753.db2.gz SKTQBFKOHQWZHH-RCCFBDPRSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324796 1004217760 /nfs/dbraw/zinc/21/77/60/1004217760.db2.gz SKTQBFKOHQWZHH-RCCFBDPRSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324796 1004217771 /nfs/dbraw/zinc/21/77/71/1004217771.db2.gz SKTQBFKOHQWZHH-RCCFBDPRSA-N 1 3 403.567 3.664 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501375361 1004375812 /nfs/dbraw/zinc/37/58/12/1004375812.db2.gz ALOJFCKPBFXUPO-REWPJTCUSA-N 1 3 400.611 3.635 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501375361 1004375819 /nfs/dbraw/zinc/37/58/19/1004375819.db2.gz ALOJFCKPBFXUPO-REWPJTCUSA-N 1 3 400.611 3.635 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCc2ccccc2C1 ZINC000501377961 1004377038 /nfs/dbraw/zinc/37/70/38/1004377038.db2.gz OAFRMCXPLOCTTE-HSZRJFAPSA-N 1 3 400.611 3.635 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388900 1004384832 /nfs/dbraw/zinc/38/48/32/1004384832.db2.gz VLDFUBDMDRFMSI-SEIRJHJZSA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388900 1004384841 /nfs/dbraw/zinc/38/48/41/1004384841.db2.gz VLDFUBDMDRFMSI-SEIRJHJZSA-N 1 3 412.578 3.919 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634557 1004447038 /nfs/dbraw/zinc/44/70/38/1004447038.db2.gz DOCRSMKSXKJTKE-ZKMPZPQNSA-N 1 3 421.585 3.544 20 0 HHADHO CN(C)C(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512634557 1004447039 /nfs/dbraw/zinc/44/70/39/1004447039.db2.gz DOCRSMKSXKJTKE-ZKMPZPQNSA-N 1 3 421.585 3.544 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000501549397 1004507690 /nfs/dbraw/zinc/50/76/90/1004507690.db2.gz IXWMNEPHKNVPJP-UXHICEINSA-N 1 3 401.599 3.521 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000501549397 1004507700 /nfs/dbraw/zinc/50/77/00/1004507700.db2.gz IXWMNEPHKNVPJP-UXHICEINSA-N 1 3 401.599 3.521 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)N(C)C)cc1 ZINC000512821955 1004581192 /nfs/dbraw/zinc/58/11/92/1004581192.db2.gz STBFWXRGVFFAQB-QHCPKHFHSA-N 1 3 418.626 3.840 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501823786 1004759358 /nfs/dbraw/zinc/75/93/58/1004759358.db2.gz GQMUHIXPHVUECL-XPNTWCBSSA-N 1 3 400.611 3.881 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501846913 1004773674 /nfs/dbraw/zinc/77/36/74/1004773674.db2.gz BISRMFQAUFFFPF-QHCPKHFHSA-N 1 3 410.562 3.723 20 0 HHADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000510874931 1004904479 /nfs/dbraw/zinc/90/44/79/1004904479.db2.gz RQMZFOHEGIXRLE-KMFTYDHNSA-N 1 3 422.013 3.856 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321444 1005010784 /nfs/dbraw/zinc/01/07/84/1005010784.db2.gz NWZMKALPLLOFIW-JOCHJYFZSA-N 1 3 407.606 3.741 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321444 1005010792 /nfs/dbraw/zinc/01/07/92/1005010792.db2.gz NWZMKALPLLOFIW-JOCHJYFZSA-N 1 3 407.606 3.741 20 0 HHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@@H]21 ZINC000513659786 1005070410 /nfs/dbraw/zinc/07/04/10/1005070410.db2.gz DFIYNZOZFXAOLQ-OHFALNGGSA-N 1 3 402.892 3.795 20 0 HHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@@H]21 ZINC000513659786 1005070415 /nfs/dbraw/zinc/07/04/15/1005070415.db2.gz DFIYNZOZFXAOLQ-OHFALNGGSA-N 1 3 402.892 3.795 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230633 1005083087 /nfs/dbraw/zinc/08/30/87/1005083087.db2.gz RUZXEELCWCGPSC-ODGPQVTHSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230633 1005083094 /nfs/dbraw/zinc/08/30/94/1005083094.db2.gz RUZXEELCWCGPSC-ODGPQVTHSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252659 1005092717 /nfs/dbraw/zinc/09/27/17/1005092717.db2.gz YKKNWQLILJADMG-OALUTQOASA-N 1 3 404.574 3.552 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252659 1005092721 /nfs/dbraw/zinc/09/27/21/1005092721.db2.gz YKKNWQLILJADMG-OALUTQOASA-N 1 3 404.574 3.552 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2)CC1 ZINC000511291087 1005110420 /nfs/dbraw/zinc/11/04/20/1005110420.db2.gz UVHJCFAFHWLWLV-RBBKRZOGSA-N 1 3 412.622 3.600 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2)CC1 ZINC000511291087 1005110422 /nfs/dbraw/zinc/11/04/22/1005110422.db2.gz UVHJCFAFHWLWLV-RBBKRZOGSA-N 1 3 412.622 3.600 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846393 1005242220 /nfs/dbraw/zinc/24/22/20/1005242220.db2.gz DLLVJGFCBLTAFY-QFBILLFUSA-N 1 3 414.516 3.824 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000502856234 1005245753 /nfs/dbraw/zinc/24/57/53/1005245753.db2.gz AGWIVYCQPYTGKC-FQEVSTJZSA-N 1 3 400.611 3.635 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000502856234 1005245757 /nfs/dbraw/zinc/24/57/57/1005245757.db2.gz AGWIVYCQPYTGKC-FQEVSTJZSA-N 1 3 400.611 3.635 20 0 HHADHO CCCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000503298427 1005385952 /nfs/dbraw/zinc/38/59/52/1005385952.db2.gz CEIZQVGLOJLNEL-QHCPKHFHSA-N 1 3 416.610 3.784 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401704 1005408918 /nfs/dbraw/zinc/40/89/18/1005408918.db2.gz QWDIRBCFTQGISQ-AOHZBQACSA-N 1 3 412.622 3.975 20 0 HHADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000504041202 1005538952 /nfs/dbraw/zinc/53/89/52/1005538952.db2.gz ZXMZLMICWQCISZ-HXUWFJFHSA-N 1 3 406.640 3.941 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000514438740 1005990758 /nfs/dbraw/zinc/99/07/58/1005990758.db2.gz XAMPZCRIJSMZHD-NRFANRHFSA-N 1 3 412.603 3.980 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1cccc(OC)c1 ZINC000531207460 1006047212 /nfs/dbraw/zinc/04/72/12/1006047212.db2.gz YRDOKGWQWDMEOX-DEOSSOPVSA-N 1 3 424.589 3.814 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000514635765 1006064697 /nfs/dbraw/zinc/06/46/97/1006064697.db2.gz XZJUKLKOXGUHJL-UPVQGACJSA-N 1 3 416.569 3.532 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000514635765 1006064713 /nfs/dbraw/zinc/06/47/13/1006064713.db2.gz XZJUKLKOXGUHJL-UPVQGACJSA-N 1 3 416.569 3.532 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)c(C)c2)CC1 ZINC000531446626 1006201961 /nfs/dbraw/zinc/20/19/61/1006201961.db2.gz WPTSWDIDMASSCA-UHFFFAOYSA-N 1 3 421.589 3.695 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531621025 1006310995 /nfs/dbraw/zinc/31/09/95/1006310995.db2.gz XUSPRESCOHSXHB-WIVXBSKCSA-N 1 3 420.601 3.566 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531621025 1006311008 /nfs/dbraw/zinc/31/10/08/1006311008.db2.gz XUSPRESCOHSXHB-WIVXBSKCSA-N 1 3 420.601 3.566 20 0 HHADHO CC1(C)CN([C@@H](C[NH2+]C2CCN(CC3CC3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000532215917 1006727247 /nfs/dbraw/zinc/72/72/47/1006727247.db2.gz BFPQFBHWGVWQPN-QFIPXVFZSA-N 1 3 406.014 3.956 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000538492465 1006761191 /nfs/dbraw/zinc/76/11/91/1006761191.db2.gz PFKYJBUFWMNAQI-JOCHJYFZSA-N 1 3 408.590 3.596 20 0 HHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000532441983 1006885056 /nfs/dbraw/zinc/88/50/56/1006885056.db2.gz TZQSFJGCHLOCND-PUHATCMVSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441983 1006885071 /nfs/dbraw/zinc/88/50/71/1006885071.db2.gz TZQSFJGCHLOCND-PUHATCMVSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441983 1006885087 /nfs/dbraw/zinc/88/50/87/1006885087.db2.gz TZQSFJGCHLOCND-PUHATCMVSA-N 1 3 412.647 3.679 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)c(C)c2)CC1 ZINC000516233228 1006964728 /nfs/dbraw/zinc/96/47/28/1006964728.db2.gz RGZXZBSBIAUKNP-SFHLNBCPSA-N 1 3 415.626 3.625 20 0 HHADHO Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723187 1006999218 /nfs/dbraw/zinc/99/92/18/1006999218.db2.gz NVLYTHQMYPDAJY-XUZZJYLKSA-N 1 3 423.649 3.936 20 0 HHADHO Cc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723187 1006999230 /nfs/dbraw/zinc/99/92/30/1006999230.db2.gz NVLYTHQMYPDAJY-XUZZJYLKSA-N 1 3 423.649 3.936 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2cc3ccccc3o2)CC1)Cc1ccccc1 ZINC000532623350 1007046155 /nfs/dbraw/zinc/04/61/55/1007046155.db2.gz NZNGWXVSYOUPRS-UHFFFAOYSA-N 1 3 405.542 3.893 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581645 1007166933 /nfs/dbraw/zinc/16/69/33/1007166933.db2.gz HNHRFVTWCULQJE-SIKLNZKXSA-N 1 3 412.553 3.734 20 0 HHADHO Cc1c([C@H](C)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072107 1007363471 /nfs/dbraw/zinc/36/34/71/1007363471.db2.gz CSJOSHKLMVLNPK-ULQDDVLXSA-N 1 3 405.974 3.769 20 0 HHADHO O=c1ccccn1Cc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000539093702 1007383239 /nfs/dbraw/zinc/38/32/39/1007383239.db2.gz OIXITWINFSSOSL-UHFFFAOYSA-N 1 3 419.544 3.832 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340262 1007393200 /nfs/dbraw/zinc/39/32/00/1007393200.db2.gz MKPNNDPRTMLFEX-COPCDDAFSA-N 1 3 412.603 3.705 20 0 HHADHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1c1ccccc1 ZINC000535340262 1007393211 /nfs/dbraw/zinc/39/32/11/1007393211.db2.gz MKPNNDPRTMLFEX-COPCDDAFSA-N 1 3 412.603 3.705 20 0 HHADHO CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000539163865 1007464575 /nfs/dbraw/zinc/46/45/75/1007464575.db2.gz JWQKLMVNZVPLJG-HSZRJFAPSA-N 1 3 408.546 3.768 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000539306580 1007604911 /nfs/dbraw/zinc/60/49/11/1007604911.db2.gz KFOXAGLZDFNUHO-DNVCBOLYSA-N 1 3 412.441 3.849 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613009 1007817905 /nfs/dbraw/zinc/81/79/05/1007817905.db2.gz RBUVQXTYDFFTIR-NFBKMPQASA-N 1 3 401.595 3.847 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613009 1007817911 /nfs/dbraw/zinc/81/79/11/1007817911.db2.gz RBUVQXTYDFFTIR-NFBKMPQASA-N 1 3 401.595 3.847 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000517635699 1007844894 /nfs/dbraw/zinc/84/48/94/1007844894.db2.gz BXWZFSBLUBKMJJ-UHFFFAOYSA-N 1 3 422.617 3.745 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000517635699 1007844907 /nfs/dbraw/zinc/84/49/07/1007844907.db2.gz BXWZFSBLUBKMJJ-UHFFFAOYSA-N 1 3 422.617 3.745 20 0 HHADHO CCN1CCN(c2ccccc2NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000535844395 1007857874 /nfs/dbraw/zinc/85/78/74/1007857874.db2.gz UJZMEEXWYZMDBG-UHFFFAOYSA-N 1 3 421.633 3.971 20 0 HHADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000517659608 1007872168 /nfs/dbraw/zinc/87/21/68/1007872168.db2.gz WWISGYUNCFVPFG-JOCHJYFZSA-N 1 3 410.562 3.803 20 0 HHADHO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000539824220 1008119245 /nfs/dbraw/zinc/11/92/45/1008119245.db2.gz DRGODZXMZJICOI-GBXCKJPGSA-N 1 3 423.601 3.829 20 0 HHADHO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539863342 1008147387 /nfs/dbraw/zinc/14/73/87/1008147387.db2.gz WLYUYFRYZFPLIV-KDURUIRLSA-N 1 3 412.578 3.797 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955808 1008231868 /nfs/dbraw/zinc/23/18/68/1008231868.db2.gz SPJBNXJAAXXMKO-TZRRMPRUSA-N 1 3 422.573 3.577 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)N2CCCC2)c1 ZINC000533955808 1008231871 /nfs/dbraw/zinc/23/18/71/1008231871.db2.gz SPJBNXJAAXXMKO-TZRRMPRUSA-N 1 3 422.573 3.577 20 0 HHADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045555 1008254663 /nfs/dbraw/zinc/25/46/63/1008254663.db2.gz RCHOOKGJSKCTHX-SFHVURJKSA-N 1 3 414.981 3.978 20 0 HHADHO O=C(NCc1ccccc1)[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000540051703 1008260177 /nfs/dbraw/zinc/26/01/77/1008260177.db2.gz SZXNEKDZXQWLGP-RUZDIDTESA-N 1 3 414.553 3.945 20 0 HHADHO CCc1nc2c(s1)[C@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000540168952 1008320232 /nfs/dbraw/zinc/32/02/32/1008320232.db2.gz IPZCATPWEKRZOH-LJQANCHMSA-N 1 3 412.603 3.698 20 0 HHADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264834 1008360419 /nfs/dbraw/zinc/36/04/19/1008360419.db2.gz LWTQDPYBCXTATN-MSOLQXFVSA-N 1 3 401.576 3.559 20 0 HHADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264834 1008360424 /nfs/dbraw/zinc/36/04/24/1008360424.db2.gz LWTQDPYBCXTATN-MSOLQXFVSA-N 1 3 401.576 3.559 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000518623354 1008369232 /nfs/dbraw/zinc/36/92/32/1008369232.db2.gz FPFQQNJDEXNDIA-FPOVZHCZSA-N 1 3 415.603 3.548 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 ZINC000543190676 1008764108 /nfs/dbraw/zinc/76/41/08/1008764108.db2.gz UYSSWIRDEBVDFZ-AZGAKELHSA-N 1 3 421.585 3.826 20 0 HHADHO COc1cccc(OC)c1OCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519725074 1008979300 /nfs/dbraw/zinc/97/93/00/1008979300.db2.gz JTCYGAKUZHAHNU-WOJBJXKFSA-N 1 3 420.594 3.684 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000519944965 1009096223 /nfs/dbraw/zinc/09/62/23/1009096223.db2.gz HGYRSKCFFBDPTA-VXKWHMMOSA-N 1 3 414.638 3.705 20 0 HHADHO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC000520126533 1009279410 /nfs/dbraw/zinc/27/94/10/1009279410.db2.gz RJPYDTYQAKTJGM-UHFFFAOYSA-N 1 3 421.585 3.933 20 0 HHADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000520348263 1009484619 /nfs/dbraw/zinc/48/46/19/1009484619.db2.gz NKXHQYDWXKRVGE-FULJZNEXSA-N 1 3 418.585 3.605 20 0 HHADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000520348263 1009484630 /nfs/dbraw/zinc/48/46/30/1009484630.db2.gz NKXHQYDWXKRVGE-FULJZNEXSA-N 1 3 418.585 3.605 20 0 HHADHO c1cnn(-c2cccc(CNC[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868369 1009488063 /nfs/dbraw/zinc/48/80/63/1009488063.db2.gz VIHISCGKORDEIB-DEOSSOPVSA-N 1 3 416.569 3.891 20 0 HHADHO c1cnn(-c2cccc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868369 1009488070 /nfs/dbraw/zinc/48/80/70/1009488070.db2.gz VIHISCGKORDEIB-DEOSSOPVSA-N 1 3 416.569 3.891 20 0 HHADHO c1cnn(-c2cccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CC34CCOCC4)c2)c1 ZINC000549868369 1009488073 /nfs/dbraw/zinc/48/80/73/1009488073.db2.gz VIHISCGKORDEIB-DEOSSOPVSA-N 1 3 416.569 3.891 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000544002971 1009604202 /nfs/dbraw/zinc/60/42/02/1009604202.db2.gz SRRVFVKPBYCZDB-MAUKXSAKSA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002971 1009604214 /nfs/dbraw/zinc/60/42/14/1009604214.db2.gz SRRVFVKPBYCZDB-MAUKXSAKSA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000544002971 1009604223 /nfs/dbraw/zinc/60/42/23/1009604223.db2.gz SRRVFVKPBYCZDB-MAUKXSAKSA-N 1 3 423.623 3.969 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc(Cl)cc2c1OCC2 ZINC000544021589 1009621904 /nfs/dbraw/zinc/62/19/04/1009621904.db2.gz AMPOXENTOMYZJX-UHFFFAOYSA-N 1 3 406.014 3.903 20 0 HHADHO Clc1ccc(-n2cc(CNCC3CCN(c4cc[nH+]cc4)CC3)nn2)cc1Cl ZINC000544181807 1009785664 /nfs/dbraw/zinc/78/56/64/1009785664.db2.gz XAQHZAJUEQEDQC-UHFFFAOYSA-N 1 3 417.344 3.975 20 0 HHADHO CN(C)CC[NH+]1CCC(N[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000550611893 1010064668 /nfs/dbraw/zinc/06/46/68/1010064668.db2.gz DPYZIFUNCCYWQQ-HXUWFJFHSA-N 1 3 424.358 3.886 20 0 HHADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)[C@@H](n2cncn2)C1 ZINC000550882967 1010239919 /nfs/dbraw/zinc/23/99/19/1010239919.db2.gz UHAZVIASYNNCIX-KAMZKSLDSA-N 1 3 423.605 3.526 20 0 HHADHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000521367416 1010336239 /nfs/dbraw/zinc/33/62/39/1010336239.db2.gz DZLZLCCFMMIPLS-OAQYLSRUSA-N 1 3 402.583 3.683 20 0 HHADHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000521367416 1010336251 /nfs/dbraw/zinc/33/62/51/1010336251.db2.gz DZLZLCCFMMIPLS-OAQYLSRUSA-N 1 3 402.583 3.683 20 0 HHADHO COCCN1CCC[C@H]1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000521367415 1010336539 /nfs/dbraw/zinc/33/65/39/1010336539.db2.gz DZLZLCCFMMIPLS-NRFANRHFSA-N 1 3 402.583 3.683 20 0 HHADHO COCCN1CCC[C@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000521367415 1010336552 /nfs/dbraw/zinc/33/65/52/1010336552.db2.gz DZLZLCCFMMIPLS-NRFANRHFSA-N 1 3 402.583 3.683 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521534766 1010445628 /nfs/dbraw/zinc/44/56/28/1010445628.db2.gz ZYIWTLKTFGBGDA-HSZRJFAPSA-N 1 3 409.549 3.950 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000547842966 1010446331 /nfs/dbraw/zinc/44/63/31/1010446331.db2.gz DKDOVUYYSSEMEN-REWPJTCUSA-N 1 3 401.595 3.539 20 0 HHADHO C[N@H+](CCOc1cccc(CNCC2=Cc3ccccc3OC2)c1)C1CCOCC1 ZINC000521830359 1010644575 /nfs/dbraw/zinc/64/45/75/1010644575.db2.gz WGKLMENRXYTROQ-UHFFFAOYSA-N 1 3 408.542 3.742 20 0 HHADHO C[N@@H+](CCOc1cccc(CNCC2=Cc3ccccc3OC2)c1)C1CCOCC1 ZINC000521830359 1010644585 /nfs/dbraw/zinc/64/45/85/1010644585.db2.gz WGKLMENRXYTROQ-UHFFFAOYSA-N 1 3 408.542 3.742 20 0 HHADHO C[N@H+](CCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000548719962 1010713551 /nfs/dbraw/zinc/71/35/51/1010713551.db2.gz PMDJUTMNWMOPLW-JOCHJYFZSA-N 1 3 409.578 3.923 20 0 HHADHO C[N@@H+](CCC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000548719962 1010713557 /nfs/dbraw/zinc/71/35/57/1010713557.db2.gz PMDJUTMNWMOPLW-JOCHJYFZSA-N 1 3 409.578 3.923 20 0 HHADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000522850375 1011289639 /nfs/dbraw/zinc/28/96/39/1011289639.db2.gz CZHDLFRGLUEOIM-UHFFFAOYSA-N 1 3 410.468 3.729 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536162108 1011290781 /nfs/dbraw/zinc/29/07/81/1011290781.db2.gz ZLMNBKFOHHRCAU-YGOYIFOWSA-N 1 3 406.574 3.957 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204444 1011349127 /nfs/dbraw/zinc/34/91/27/1011349127.db2.gz PTKDWHNELLROKK-KMDXXIMOSA-N 1 3 422.573 3.577 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204444 1011349151 /nfs/dbraw/zinc/34/91/51/1011349151.db2.gz PTKDWHNELLROKK-KMDXXIMOSA-N 1 3 422.573 3.577 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536303002 1011493315 /nfs/dbraw/zinc/49/33/15/1011493315.db2.gz RLOGSXJCOZCSIF-SCLBCKFNSA-N 1 3 400.792 3.705 20 0 HHADHO Cc1ccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)c(OCC[NH+](C)C)c1 ZINC000523444886 1011938438 /nfs/dbraw/zinc/93/84/38/1011938438.db2.gz PJZMJLLWDAIDII-UHFFFAOYSA-N 1 3 402.583 3.664 20 0 HHADHO Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523446176 1011941908 /nfs/dbraw/zinc/94/19/08/1011941908.db2.gz ONYVQZYNAPZHPA-NRFANRHFSA-N 1 3 410.562 3.722 20 0 HHADHO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000552055600 1012072890 /nfs/dbraw/zinc/07/28/90/1012072890.db2.gz VZWGLHJFUOLDCL-FPDJOHNTSA-N 1 3 408.590 3.778 20 0 HHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857867 1012091608 /nfs/dbraw/zinc/09/16/08/1012091608.db2.gz NKMDMTKRDWAVDE-SFHVURJKSA-N 1 3 403.592 3.628 20 0 HHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000536857867 1012091622 /nfs/dbraw/zinc/09/16/22/1012091622.db2.gz NKMDMTKRDWAVDE-SFHVURJKSA-N 1 3 403.592 3.628 20 0 HHADHO C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000552183629 1012197188 /nfs/dbraw/zinc/19/71/88/1012197188.db2.gz NEFHTTDKUDJQAO-FQEVSTJZSA-N 1 3 401.501 3.887 20 0 HHADHO C[NH+]1CCN(Cc2ccc(CN[C@@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000541547287 1012333788 /nfs/dbraw/zinc/33/37/88/1012333788.db2.gz SOPUKPZDHLBLAQ-VWLOTQADSA-N 1 3 404.533 3.847 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552420894 1012437597 /nfs/dbraw/zinc/43/75/97/1012437597.db2.gz YAOFOFDUAIEQIW-VCOUNFBDSA-N 1 3 419.560 3.913 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420894 1012437607 /nfs/dbraw/zinc/43/76/07/1012437607.db2.gz YAOFOFDUAIEQIW-VCOUNFBDSA-N 1 3 419.560 3.913 20 0 HHADHO CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717621 1012728267 /nfs/dbraw/zinc/72/82/67/1012728267.db2.gz VTXGOSSHVGBLEX-XMMPIXPASA-N 1 3 423.601 3.571 20 0 HHADHO CCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(c1ccccc1)c1ccccc1 ZINC000552717621 1012728286 /nfs/dbraw/zinc/72/82/86/1012728286.db2.gz VTXGOSSHVGBLEX-XMMPIXPASA-N 1 3 423.601 3.571 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c2cccs2)CC1 ZINC000541882375 1012752774 /nfs/dbraw/zinc/75/27/74/1012752774.db2.gz HTNBJIMANIEAPL-UEQSERJNSA-N 1 3 424.658 3.537 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c2cccs2)CC1 ZINC000541882375 1012752792 /nfs/dbraw/zinc/75/27/92/1012752792.db2.gz HTNBJIMANIEAPL-UEQSERJNSA-N 1 3 424.658 3.537 20 0 HHADHO CSC[C@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913398 1012770835 /nfs/dbraw/zinc/77/08/35/1012770835.db2.gz IXACEOLVJDCKIA-ZWKOTPCHSA-N 1 3 417.541 3.642 20 0 HHADHO CSC[C@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913398 1012770846 /nfs/dbraw/zinc/77/08/46/1012770846.db2.gz IXACEOLVJDCKIA-ZWKOTPCHSA-N 1 3 417.541 3.642 20 0 HHADHO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Nc4ccncc4)cc3)cc2)CC1 ZINC000552783387 1012789140 /nfs/dbraw/zinc/78/91/40/1012789140.db2.gz SVXAXPRAFPAVBW-UHFFFAOYSA-N 1 3 416.525 3.650 20 0 HHADHO c1cc(-c2ccc3nc(C4CC[NH+](C5CCN(CC6CC6)CC5)CC4)nn3c2)ccn1 ZINC001168378337 1072578432 /nfs/dbraw/zinc/57/84/32/1072578432.db2.gz MFEMYZTZQYHHIM-UHFFFAOYSA-N 1 3 416.573 3.845 20 0 HHADHO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000571408829 1072614803 /nfs/dbraw/zinc/61/48/03/1072614803.db2.gz CIANZLMEOPONDV-OALUTQOASA-N 1 3 413.562 3.740 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000593499182 1075204130 /nfs/dbraw/zinc/20/41/30/1075204130.db2.gz QKSPAGYCXYWOLF-UHFFFAOYSA-N 1 3 410.562 3.757 20 0 HHADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164837699 720725705 /nfs/dbraw/zinc/72/57/05/720725705.db2.gz GVXBTJLHYDGHST-DEOSSOPVSA-N 1 3 420.601 3.937 20 0 HHADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164837699 720725716 /nfs/dbraw/zinc/72/57/16/720725716.db2.gz GVXBTJLHYDGHST-DEOSSOPVSA-N 1 3 420.601 3.937 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165023261 721821513 /nfs/dbraw/zinc/82/15/13/721821513.db2.gz ILVJZIUBJHOFLR-LKUPVBHCSA-N 1 3 411.981 3.513 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001165023261 721821515 /nfs/dbraw/zinc/82/15/15/721821515.db2.gz ILVJZIUBJHOFLR-LKUPVBHCSA-N 1 3 411.981 3.513 20 0 HHADHO Cc1ccc(N(c2ccc(CN3CCCC3)cn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164971123 722078601 /nfs/dbraw/zinc/07/86/01/722078601.db2.gz UBXKAHANWJETBA-UHFFFAOYSA-N 1 3 414.557 3.934 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Nc4ccccc4)nc3)CC2)CC1 ZINC000553084361 1013053820 /nfs/dbraw/zinc/05/38/20/1013053820.db2.gz HMJVZOIUZVSHPP-UHFFFAOYSA-N 1 3 407.562 3.960 20 0 HHADHO CSc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000542136903 1013069569 /nfs/dbraw/zinc/06/95/69/1013069569.db2.gz QFJOITGZYZAQLS-LJQANCHMSA-N 1 3 411.615 3.955 20 0 HHADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000542148912 1013084376 /nfs/dbraw/zinc/08/43/76/1013084376.db2.gz YSOLNPQHJHNLJU-KRWDZBQOSA-N 1 3 401.551 3.577 20 0 HHADHO COc1cc2c(c(CN(C)CCC3CC[NH+](C4CCN(C)CC4)CC3)c1)O[C@@H](C)C2 ZINC000537622285 1013169641 /nfs/dbraw/zinc/16/96/41/1013169641.db2.gz UVBAUHAVYBPALI-IBGZPJMESA-N 1 3 415.622 3.647 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3ccc(F)cc3)C(C)C)cc2)CC1 ZINC000015550622 962789739 /nfs/dbraw/zinc/78/97/39/962789739.db2.gz XHUVMSMELXFRSG-DEOSSOPVSA-N 1 3 412.553 3.893 20 0 HHADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537841368 1013403186 /nfs/dbraw/zinc/40/31/86/1013403186.db2.gz KPQBNVKEQBPCAJ-FQEVSTJZSA-N 1 3 406.574 3.593 20 0 HHADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537845753 1013410715 /nfs/dbraw/zinc/41/07/15/1013410715.db2.gz MQNXDKRPRHHRCB-NHCUHLMSSA-N 1 3 408.590 3.928 20 0 HHADHO CC(C)[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000553515316 1013414562 /nfs/dbraw/zinc/41/45/62/1013414562.db2.gz NJMMRGQJXUITQY-JOCHJYFZSA-N 1 3 421.029 3.937 20 0 HHADHO Clc1ccc(-n2cc(CNCC3CCN(c4cc[nH+]cc4)CC3)nn2)c(Cl)c1 ZINC000537870514 1013444135 /nfs/dbraw/zinc/44/41/35/1013444135.db2.gz XOGSKOFKHQKURA-UHFFFAOYSA-N 1 3 417.344 3.975 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(OCc4cccs4)c3)CC2)CC1 ZINC000050798360 964400084 /nfs/dbraw/zinc/40/00/84/964400084.db2.gz PZTZDODCLLMKFC-UHFFFAOYSA-N 1 3 413.587 3.616 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(=Cc4cccc(F)c4)CC3)CC2)CC1 ZINC000051761481 964689108 /nfs/dbraw/zinc/68/91/08/964689108.db2.gz RFLVSEYWYWZSEW-UHFFFAOYSA-N 1 3 414.569 3.573 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC2)CC1 ZINC000051759898 964689794 /nfs/dbraw/zinc/68/97/94/964689794.db2.gz HICRIKQDAKDZJX-QHCPKHFHSA-N 1 3 416.585 3.915 20 0 HHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537968728 1013545748 /nfs/dbraw/zinc/54/57/48/1013545748.db2.gz UQUXZMXAHBYJMN-YESZJQIVSA-N 1 3 415.500 3.902 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnc2ccsc2c1 ZINC000537968351 1013546077 /nfs/dbraw/zinc/54/60/77/1013546077.db2.gz CGVYNKSWTJDKAX-KRWDZBQOSA-N 1 3 408.571 3.973 20 0 HHADHO Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537980944 1013557366 /nfs/dbraw/zinc/55/73/66/1013557366.db2.gz QJNIVBMNYAYFHT-FDDCHVKYSA-N 1 3 415.603 3.563 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c2ccccc2)CC1 ZINC000060558567 966205955 /nfs/dbraw/zinc/20/59/55/966205955.db2.gz FIJYCEJZSHJIAU-JOCHJYFZSA-N 1 3 400.611 3.975 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c2ccccc2)CC1 ZINC000060558567 966205961 /nfs/dbraw/zinc/20/59/61/966205961.db2.gz FIJYCEJZSHJIAU-JOCHJYFZSA-N 1 3 400.611 3.975 20 0 HHADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000060580937 966214675 /nfs/dbraw/zinc/21/46/75/966214675.db2.gz XRHMTRFGEUHZMQ-UHFFFAOYSA-N 1 3 406.574 3.823 20 0 HHADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000061791068 966555642 /nfs/dbraw/zinc/55/56/42/966555642.db2.gz SUKYRTAGKQKNSJ-LJQANCHMSA-N 1 3 418.651 3.910 20 0 HHADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000061791068 966555646 /nfs/dbraw/zinc/55/56/46/966555646.db2.gz SUKYRTAGKQKNSJ-LJQANCHMSA-N 1 3 418.651 3.910 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000542848286 1013707157 /nfs/dbraw/zinc/70/71/57/1013707157.db2.gz WWOWGQWSIVPEPS-CYFREDJKSA-N 1 3 424.589 3.978 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000542848286 1013707162 /nfs/dbraw/zinc/70/71/62/1013707162.db2.gz WWOWGQWSIVPEPS-CYFREDJKSA-N 1 3 424.589 3.978 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000064754332 967283861 /nfs/dbraw/zinc/28/38/61/967283861.db2.gz WQTROVHLLRLLEK-LJQANCHMSA-N 1 3 406.640 3.724 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000064754332 967283871 /nfs/dbraw/zinc/28/38/71/967283871.db2.gz WQTROVHLLRLLEK-LJQANCHMSA-N 1 3 406.640 3.724 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944220 1013714954 /nfs/dbraw/zinc/71/49/54/1013714954.db2.gz BSAFTAIEFDSPOU-OFNKIYASSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553944220 1013714960 /nfs/dbraw/zinc/71/49/60/1013714960.db2.gz BSAFTAIEFDSPOU-OFNKIYASSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000065521303 967505292 /nfs/dbraw/zinc/50/52/92/967505292.db2.gz HNHRFVTWCULQJE-KNQAVFIVSA-N 1 3 412.553 3.734 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)c1ccccc1O2 ZINC000538294368 1013829241 /nfs/dbraw/zinc/82/92/41/1013829241.db2.gz RBPLOCDHXCOLCP-HXUWFJFHSA-N 1 3 409.578 3.515 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCOc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000110427932 969666687 /nfs/dbraw/zinc/66/66/87/969666687.db2.gz DEBOLQSABKLSAP-IRXDYDNUSA-N 1 3 411.384 3.649 20 0 HHADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110798231 969724860 /nfs/dbraw/zinc/72/48/60/969724860.db2.gz LUBUYOLPYIHKPW-IBGZPJMESA-N 1 3 411.615 3.865 20 0 HHADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110798231 969724863 /nfs/dbraw/zinc/72/48/63/969724863.db2.gz LUBUYOLPYIHKPW-IBGZPJMESA-N 1 3 411.615 3.865 20 0 HHADHO CSc1ccccc1NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110990681 969755529 /nfs/dbraw/zinc/75/55/29/969755529.db2.gz ZCVSGCSRUJZSLD-QZTJIDSGSA-N 1 3 405.608 3.558 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)C[C@H](C)O1 ZINC000112664906 969822496 /nfs/dbraw/zinc/82/24/96/969822496.db2.gz JIFVIOJYTQDNKK-IRXDYDNUSA-N 1 3 418.969 3.754 20 0 HHADHO C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981628 970058424 /nfs/dbraw/zinc/05/84/24/970058424.db2.gz AHQZREIXIIZHPG-VGOFRKELSA-N 1 3 414.594 3.636 20 0 HHADHO Cc1cc(Br)cc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000215983454 970058708 /nfs/dbraw/zinc/05/87/08/970058708.db2.gz IKCYLKXMZLFWKK-UHFFFAOYSA-N 1 3 423.399 3.746 20 0 HHADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1OC(F)F ZINC000215996583 970059737 /nfs/dbraw/zinc/05/97/37/970059737.db2.gz MUFVNKQQNBXNJC-IBGZPJMESA-N 1 3 424.536 3.597 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3COc3ccccc3)CC2)CC1 ZINC000216001240 970059858 /nfs/dbraw/zinc/05/98/58/970059858.db2.gz WAGOMOYRESBWEL-UHFFFAOYSA-N 1 3 422.573 3.946 20 0 HHADHO c1cnn(-c2ccc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000236698545 970157675 /nfs/dbraw/zinc/15/76/75/970157675.db2.gz XFMFZVPZNLPCCK-UHFFFAOYSA-N 1 3 403.574 3.560 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000236849960 970180150 /nfs/dbraw/zinc/18/01/50/970180150.db2.gz BITDYVPZKRKLPP-LJQANCHMSA-N 1 3 409.603 3.716 20 0 HHADHO COCC[NH+]1CCC(NCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000237108647 970224044 /nfs/dbraw/zinc/22/40/44/970224044.db2.gz ZKGGTIGXTKOELD-INIZCTEOSA-N 1 3 414.390 3.759 20 0 HHADHO COCC[NH+]1CCC(NCc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000237129232 970228160 /nfs/dbraw/zinc/22/81/60/970228160.db2.gz IDDWQCWOKBMEFX-UHFFFAOYSA-N 1 3 410.587 3.860 20 0 HHADHO COc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1F ZINC000237264230 970250737 /nfs/dbraw/zinc/25/07/37/970250737.db2.gz VEEBAIFZFXYVGY-UHFFFAOYSA-N 1 3 402.510 3.614 20 0 HHADHO COc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1F ZINC000237264230 970250742 /nfs/dbraw/zinc/25/07/42/970250742.db2.gz VEEBAIFZFXYVGY-UHFFFAOYSA-N 1 3 402.510 3.614 20 0 HHADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@@H]3CCN(Cc4ccccc4)C3)c2cc1C ZINC000554540719 1013973919 /nfs/dbraw/zinc/97/39/19/1013973919.db2.gz FMGXGZHMWJYQCE-MDNUFGMLSA-N 1 3 406.574 3.514 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237609078 970322462 /nfs/dbraw/zinc/32/24/62/970322462.db2.gz PCJHEHXABYOZDC-IYBDPMFKSA-N 1 3 408.949 3.952 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000195614941 970557301 /nfs/dbraw/zinc/55/73/01/970557301.db2.gz XWGUUOPZAGNVJO-DENIHFKCSA-N 1 3 416.610 3.642 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000195614941 970557312 /nfs/dbraw/zinc/55/73/12/970557312.db2.gz XWGUUOPZAGNVJO-DENIHFKCSA-N 1 3 416.610 3.642 20 0 HHADHO Cc1cc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c2ccccc2[nH+]1 ZINC000301128771 970762163 /nfs/dbraw/zinc/76/21/63/970762163.db2.gz WHDMBPOMZMSOAN-OAQYLSRUSA-N 1 3 401.558 3.977 20 0 HHADHO CN1CCCN(c2ccc(-c3noc(-c4ccc(C[NH+]5CCCC5)cc4)n3)cn2)CC1 ZINC000554808386 1014053087 /nfs/dbraw/zinc/05/30/87/1014053087.db2.gz PBEWOZAGPSYAFG-UHFFFAOYSA-N 1 3 418.545 3.536 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000410371394 973966547 /nfs/dbraw/zinc/96/65/47/973966547.db2.gz DLVJHFXFMXZIMX-UHFFFAOYSA-N 1 3 412.578 3.926 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000410371394 973966552 /nfs/dbraw/zinc/96/65/52/973966552.db2.gz DLVJHFXFMXZIMX-UHFFFAOYSA-N 1 3 412.578 3.926 20 0 HHADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000428233813 975553104 /nfs/dbraw/zinc/55/31/04/975553104.db2.gz USPILPOFVBLRPK-ISJGIBHGSA-N 1 3 405.586 3.869 20 0 HHADHO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000428243775 975559723 /nfs/dbraw/zinc/55/97/23/975559723.db2.gz UPEIXSMZLXRGCV-ZCAIMPEWSA-N 1 3 407.606 3.669 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828637 977784375 /nfs/dbraw/zinc/78/43/75/977784375.db2.gz BXGZBILIQYUYHZ-TUACAJSNSA-N 1 3 412.574 3.558 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828637 977784385 /nfs/dbraw/zinc/78/43/85/977784385.db2.gz BXGZBILIQYUYHZ-TUACAJSNSA-N 1 3 412.574 3.558 20 0 HHADHO Cc1cc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431129376 978037256 /nfs/dbraw/zinc/03/72/56/978037256.db2.gz PZEDYIDVXYKRCU-HXUWFJFHSA-N 1 3 424.593 3.587 20 0 HHADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000431330861 978216224 /nfs/dbraw/zinc/21/62/24/978216224.db2.gz DIYKCWRTAVVKJL-FQEVSTJZSA-N 1 3 400.954 3.799 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000431553794 978357659 /nfs/dbraw/zinc/35/76/59/978357659.db2.gz VPYTZPHPWVDRII-UHFFFAOYSA-N 1 3 414.638 3.705 20 0 HHADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431914594 978597833 /nfs/dbraw/zinc/59/78/33/978597833.db2.gz SZBCSCOWTKTEJO-HSZRJFAPSA-N 1 3 410.606 3.701 20 0 HHADHO C[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000432770914 978969090 /nfs/dbraw/zinc/96/90/90/978969090.db2.gz YJAVSROXDNWEFJ-LJQANCHMSA-N 1 3 416.635 3.616 20 0 HHADHO C[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000432770914 978969093 /nfs/dbraw/zinc/96/90/93/978969093.db2.gz YJAVSROXDNWEFJ-LJQANCHMSA-N 1 3 416.635 3.616 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433125930 979086083 /nfs/dbraw/zinc/08/60/83/979086083.db2.gz AOCAPWMPOZLDCS-XMMPIXPASA-N 1 3 422.569 3.617 20 0 HHADHO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435529250 980923597 /nfs/dbraw/zinc/92/35/97/980923597.db2.gz REHXLUIXCROLAO-IFMALSPDSA-N 1 3 424.593 3.634 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)c2)CC1 ZINC000436373917 981333744 /nfs/dbraw/zinc/33/37/44/981333744.db2.gz VKXANMCAAMFMNR-HSZRJFAPSA-N 1 3 413.610 3.747 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)c2)CC1 ZINC000436373917 981333749 /nfs/dbraw/zinc/33/37/49/981333749.db2.gz VKXANMCAAMFMNR-HSZRJFAPSA-N 1 3 413.610 3.747 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000436399225 981348503 /nfs/dbraw/zinc/34/85/03/981348503.db2.gz ILKRJISRIIJDQO-CTNGQTDRSA-N 1 3 413.528 3.792 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000448400993 981754480 /nfs/dbraw/zinc/75/44/80/981754480.db2.gz BVDJJDMFKOTTOO-NRFANRHFSA-N 1 3 418.651 3.767 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000448400993 981754488 /nfs/dbraw/zinc/75/44/88/981754488.db2.gz BVDJJDMFKOTTOO-NRFANRHFSA-N 1 3 418.651 3.767 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466109 981800765 /nfs/dbraw/zinc/80/07/65/981800765.db2.gz MIGILULBEDXFGB-DFQSSKMNSA-N 1 3 402.608 3.543 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448466109 981800777 /nfs/dbraw/zinc/80/07/77/981800777.db2.gz MIGILULBEDXFGB-DFQSSKMNSA-N 1 3 402.608 3.543 20 0 HHADHO Cc1ccc(NC(=O)NC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000460348091 982119645 /nfs/dbraw/zinc/11/96/45/982119645.db2.gz OHGNULMKFDOMLA-WOJBJXKFSA-N 1 3 422.573 3.698 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947625 982682879 /nfs/dbraw/zinc/68/28/79/982682879.db2.gz SGJPYNOBWDAYGP-UXHICEINSA-N 1 3 410.389 3.772 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2ccccc2OCC2CC2)(N2CCCCC2)CC1 ZINC000438256705 982684880 /nfs/dbraw/zinc/68/48/80/982684880.db2.gz JCBRLOXDIHQBLE-UHFFFAOYSA-N 1 3 400.567 3.547 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2ccnc(Oc3ccccc3)c2)(N2CCCCC2)CC1 ZINC000438510214 982850276 /nfs/dbraw/zinc/85/02/76/982850276.db2.gz ZVLNXFNHWPNXRM-UHFFFAOYSA-N 1 3 423.561 3.946 20 0 HHADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540366 982878309 /nfs/dbraw/zinc/87/83/09/982878309.db2.gz JMGMOUMKVMIBDJ-JOCHJYFZSA-N 1 3 419.997 3.706 20 0 HHADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438540366 982878324 /nfs/dbraw/zinc/87/83/24/982878324.db2.gz JMGMOUMKVMIBDJ-JOCHJYFZSA-N 1 3 419.997 3.706 20 0 HHADHO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461446674 983111308 /nfs/dbraw/zinc/11/13/08/983111308.db2.gz LGWDIEQKFINQDK-IRLDBZIGSA-N 1 3 423.523 3.775 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)N(C)C)cc1 ZINC000439261158 983336210 /nfs/dbraw/zinc/33/62/10/983336210.db2.gz QMOSSGYYHGZKST-NRFANRHFSA-N 1 3 402.608 3.687 20 0 HHADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000439962369 983596517 /nfs/dbraw/zinc/59/65/17/983596517.db2.gz PYDWEYTUCSKEKF-JOCHJYFZSA-N 1 3 412.578 3.847 20 0 HHADHO COCCN1CCC([NH2+]C[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114858 985084274 /nfs/dbraw/zinc/08/42/74/985084274.db2.gz YJTDARXPPBEYCY-NQIIRXRSSA-N 1 3 413.528 3.789 20 0 HHADHO CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000462196322 985178938 /nfs/dbraw/zinc/17/89/38/985178938.db2.gz PLUYGUNKOMSGOO-UPVQGACJSA-N 1 3 412.622 3.804 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980531 985625585 /nfs/dbraw/zinc/62/55/85/985625585.db2.gz ZCIXFDIJGGGPMO-JTHBVZDNSA-N 1 3 413.606 3.706 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980531 985625590 /nfs/dbraw/zinc/62/55/90/985625590.db2.gz ZCIXFDIJGGGPMO-JTHBVZDNSA-N 1 3 413.606 3.706 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687606 985627513 /nfs/dbraw/zinc/62/75/13/985627513.db2.gz SDJGLGSSJNUORS-GBXCKJPGSA-N 1 3 406.574 3.602 20 0 HHADHO CC1CC[NH+](CCC[C@H](NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c2ccc(F)cc2)CC1 ZINC000462801255 985734081 /nfs/dbraw/zinc/73/40/81/985734081.db2.gz BLSAKQRDHYMQOE-VABKMULXSA-N 1 3 419.585 3.604 20 0 HHADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000463113183 986076107 /nfs/dbraw/zinc/07/61/07/986076107.db2.gz AAIIFKQROIKMII-NRFANRHFSA-N 1 3 424.608 3.935 20 0 HHADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000444345816 986528417 /nfs/dbraw/zinc/52/84/17/986528417.db2.gz VZDJPGVXDFBAQU-ZEQRLZLVSA-N 1 3 420.601 3.835 20 0 HHADHO Cc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1NC(=O)CC[NH+](C)C ZINC000468924346 986630771 /nfs/dbraw/zinc/63/07/71/986630771.db2.gz JJMYWFITHCJAEZ-UHFFFAOYSA-N 1 3 408.546 3.733 20 0 HHADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719349 986893238 /nfs/dbraw/zinc/89/32/38/986893238.db2.gz QSIKBQNPTBOQHK-GOTSBHOMSA-N 1 3 410.606 3.844 20 0 HHADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444719349 986893248 /nfs/dbraw/zinc/89/32/48/986893248.db2.gz QSIKBQNPTBOQHK-GOTSBHOMSA-N 1 3 410.606 3.844 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522179 987197937 /nfs/dbraw/zinc/19/79/37/987197937.db2.gz OSSKTXKJDNBDDQ-VXKWHMMOSA-N 1 3 412.622 3.555 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522179 987197939 /nfs/dbraw/zinc/19/79/39/987197939.db2.gz OSSKTXKJDNBDDQ-VXKWHMMOSA-N 1 3 412.622 3.555 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721913 988747885 /nfs/dbraw/zinc/74/78/85/988747885.db2.gz DKPGWNBOOJNERT-RPWUZVMVSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721913 988747889 /nfs/dbraw/zinc/74/78/89/988747889.db2.gz DKPGWNBOOJNERT-RPWUZVMVSA-N 1 3 408.590 3.904 20 0 HHADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470746265 988785954 /nfs/dbraw/zinc/78/59/54/988785954.db2.gz NBRJZGGTDAKGQS-ZEQRLZLVSA-N 1 3 406.574 3.567 20 0 HHADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746265 988785962 /nfs/dbraw/zinc/78/59/62/988785962.db2.gz NBRJZGGTDAKGQS-ZEQRLZLVSA-N 1 3 406.574 3.567 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753552 988795732 /nfs/dbraw/zinc/79/57/32/988795732.db2.gz FHYVVMZHKKIDFX-LEWJYISDSA-N 1 3 418.651 3.894 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753552 988795734 /nfs/dbraw/zinc/79/57/34/988795734.db2.gz FHYVVMZHKKIDFX-LEWJYISDSA-N 1 3 418.651 3.894 20 0 HHADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464831201 989071245 /nfs/dbraw/zinc/07/12/45/989071245.db2.gz MPJWFGCNURPBCP-WOJBJXKFSA-N 1 3 406.640 3.798 20 0 HHADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464831201 989071255 /nfs/dbraw/zinc/07/12/55/989071255.db2.gz MPJWFGCNURPBCP-WOJBJXKFSA-N 1 3 406.640 3.798 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601326 989804918 /nfs/dbraw/zinc/80/49/18/989804918.db2.gz ILCSXOJUXBVGFF-UNMCSNQZSA-N 1 3 414.619 3.952 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601326 989804934 /nfs/dbraw/zinc/80/49/34/989804934.db2.gz ILCSXOJUXBVGFF-UNMCSNQZSA-N 1 3 414.619 3.952 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601323 989805075 /nfs/dbraw/zinc/80/50/75/989805075.db2.gz ILCSXOJUXBVGFF-IFMALSPDSA-N 1 3 414.619 3.952 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000471601323 989805088 /nfs/dbraw/zinc/80/50/88/989805088.db2.gz ILCSXOJUXBVGFF-IFMALSPDSA-N 1 3 414.619 3.952 20 0 HHADHO CN(CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747439 990132916 /nfs/dbraw/zinc/13/29/16/990132916.db2.gz FOPKXCHERTVZLH-FPOVZHCZSA-N 1 3 400.592 3.562 20 0 HHADHO CN(CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000465747439 990132921 /nfs/dbraw/zinc/13/29/21/990132921.db2.gz FOPKXCHERTVZLH-FPOVZHCZSA-N 1 3 400.592 3.562 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814223 990197533 /nfs/dbraw/zinc/19/75/33/990197533.db2.gz MCZJROCUIXGTTD-XUZZJYLKSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814223 990197537 /nfs/dbraw/zinc/19/75/37/990197537.db2.gz MCZJROCUIXGTTD-XUZZJYLKSA-N 1 3 408.590 3.904 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532435 991832290 /nfs/dbraw/zinc/83/22/90/991832290.db2.gz ITWDBXIRVCAVIE-SDUSCBPUSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532435 991832299 /nfs/dbraw/zinc/83/22/99/991832299.db2.gz ITWDBXIRVCAVIE-SDUSCBPUSA-N 1 3 420.601 3.813 20 0 HHADHO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000467080031 992385870 /nfs/dbraw/zinc/38/58/70/992385870.db2.gz CDBDCEPIZKKORY-DEOSSOPVSA-N 1 3 408.590 3.597 20 0 HHADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000472336025 993344407 /nfs/dbraw/zinc/34/44/07/993344407.db2.gz MCICTZYMVBSAEY-DHIUTWEWSA-N 1 3 410.562 3.974 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000472359651 993358097 /nfs/dbraw/zinc/35/80/97/993358097.db2.gz HQBYMYRGTPJHDV-XMMPIXPASA-N 1 3 420.601 3.815 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472359651 993358103 /nfs/dbraw/zinc/35/81/03/993358103.db2.gz HQBYMYRGTPJHDV-XMMPIXPASA-N 1 3 420.601 3.815 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cccc(N4CCOCC4)c3)cc2)CC1 ZINC000480724203 993592552 /nfs/dbraw/zinc/59/25/52/993592552.db2.gz AVVSARSSYVLUJM-QFIPXVFZSA-N 1 3 422.617 3.512 20 0 HHADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769014 993633616 /nfs/dbraw/zinc/63/36/16/993633616.db2.gz HSYLNLIRTACIJN-OALUTQOASA-N 1 3 419.635 3.823 20 0 HHADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769013 993633650 /nfs/dbraw/zinc/63/36/50/993633650.db2.gz HSYLNLIRTACIJN-MOPGFXCFSA-N 1 3 419.635 3.823 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000480794506 993663534 /nfs/dbraw/zinc/66/35/34/993663534.db2.gz SJVZZQPXSLNKSK-URXFXBBRSA-N 1 3 412.622 3.646 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331363 994150150 /nfs/dbraw/zinc/15/01/50/994150150.db2.gz PFDAAOAQHRJVIA-YKSBVNFPSA-N 1 3 423.605 3.950 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3cccc(C[N@H+](C)CC)c3)c2)CC1 ZINC000473819581 994747908 /nfs/dbraw/zinc/74/79/08/994747908.db2.gz SMPUFSXTHJLZCJ-UHFFFAOYSA-N 1 3 409.578 3.602 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3cccc(C[N@@H+](C)CC)c3)c2)CC1 ZINC000473819581 994747921 /nfs/dbraw/zinc/74/79/21/994747921.db2.gz SMPUFSXTHJLZCJ-UHFFFAOYSA-N 1 3 409.578 3.602 20 0 HHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000474518974 995482556 /nfs/dbraw/zinc/48/25/56/995482556.db2.gz WTYULBZKTWMCCJ-VXKWHMMOSA-N 1 3 422.617 3.916 20 0 HHADHO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000482545834 995554006 /nfs/dbraw/zinc/55/40/06/995554006.db2.gz ZZSIUXHJRJQHRJ-OFNKIYASSA-N 1 3 409.574 3.812 20 0 HHADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709810 995698423 /nfs/dbraw/zinc/69/84/23/995698423.db2.gz TVTUSVMANZISNF-NZQKXSOJSA-N 1 3 422.573 3.657 20 0 HHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815308 995768383 /nfs/dbraw/zinc/76/83/83/995768383.db2.gz NDFIUNBJVZVHMZ-UZLBHIALSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815308 995768389 /nfs/dbraw/zinc/76/83/89/995768389.db2.gz NDFIUNBJVZVHMZ-UZLBHIALSA-N 1 3 417.500 3.836 20 0 HHADHO CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475010992 995867528 /nfs/dbraw/zinc/86/75/28/995867528.db2.gz ZVBHFUOAEHBXFQ-DEOSSOPVSA-N 1 3 406.574 3.698 20 0 HHADHO COc1ccc(COC[C@H](O)CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727865 996327626 /nfs/dbraw/zinc/32/76/26/996327626.db2.gz IIPOAZWBCIIKJS-RSXGOPAZSA-N 1 3 424.585 3.561 20 0 HHADHO COc1ccc(COC[C@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727865 996327633 /nfs/dbraw/zinc/32/76/33/996327633.db2.gz IIPOAZWBCIIKJS-RSXGOPAZSA-N 1 3 424.585 3.561 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000475995482 996524885 /nfs/dbraw/zinc/52/48/85/996524885.db2.gz NWZARFOGLTZOLT-UHFFFAOYSA-N 1 3 400.611 3.865 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000476001657 996531035 /nfs/dbraw/zinc/53/10/35/996531035.db2.gz AGOPZAMVIDKMBF-UHFFFAOYSA-N 1 3 402.583 3.683 20 0 HHADHO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000484182760 996622120 /nfs/dbraw/zinc/62/21/20/996622120.db2.gz YLGYZWQTUZODMH-CYBMUJFWSA-N 1 3 424.408 3.988 20 0 HHADHO C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000476871371 997447244 /nfs/dbraw/zinc/44/72/44/997447244.db2.gz DDGXYIOIMSQKNG-RDPSFJRHSA-N 1 3 406.574 3.745 20 0 HHADHO CCc1c(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cnn1C(CC)CC ZINC000485147564 997531154 /nfs/dbraw/zinc/53/11/54/997531154.db2.gz NZBWHVAFGFIAOQ-UHFFFAOYSA-N 1 3 418.630 3.878 20 0 HHADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399172 997829556 /nfs/dbraw/zinc/82/95/56/997829556.db2.gz FZBFZFFPJBXAFO-ZJSXRUAMSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399172 997829564 /nfs/dbraw/zinc/82/95/64/997829564.db2.gz FZBFZFFPJBXAFO-ZJSXRUAMSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000478807660 999150516 /nfs/dbraw/zinc/15/05/16/999150516.db2.gz RIUSUGJVBNEGPB-YKSBVNFPSA-N 1 3 408.590 3.684 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3CCCc3ccccc3)CC2)CC1 ZINC000487659861 999245467 /nfs/dbraw/zinc/24/54/67/999245467.db2.gz CICCOGQMMMAHMI-DEOSSOPVSA-N 1 3 412.622 3.742 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000479452873 999424255 /nfs/dbraw/zinc/42/42/55/999424255.db2.gz IKOHPKNNYIWQFB-SVFBPWRDSA-N 1 3 415.603 3.512 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488564334 999529340 /nfs/dbraw/zinc/52/93/40/999529340.db2.gz WSWSAXMBFHUAFX-RRJCBXKSSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488564334 999529344 /nfs/dbraw/zinc/52/93/44/999529344.db2.gz WSWSAXMBFHUAFX-RRJCBXKSSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000479875531 999632865 /nfs/dbraw/zinc/63/28/65/999632865.db2.gz QZQDJTLDSAEBLE-DLBZAZTESA-N 1 3 424.010 3.982 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1)C(C)C ZINC000479978498 999671555 /nfs/dbraw/zinc/67/15/55/999671555.db2.gz GUWYLZLJPXXDDL-UHFFFAOYSA-N 1 3 423.601 3.804 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1)C(C)C ZINC000479978498 999671557 /nfs/dbraw/zinc/67/15/57/999671557.db2.gz GUWYLZLJPXXDDL-UHFFFAOYSA-N 1 3 423.601 3.804 20 0 HHADHO CN(C)C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000489204477 999721889 /nfs/dbraw/zinc/72/18/89/999721889.db2.gz IPGZXPJPNDXVOI-NRFANRHFSA-N 1 3 418.582 3.701 20 0 HHADHO CN(C)C[C@@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000489204478 999721931 /nfs/dbraw/zinc/72/19/31/999721931.db2.gz IPGZXPJPNDXVOI-OAQYLSRUSA-N 1 3 418.582 3.701 20 0 HHADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000489322800 999745422 /nfs/dbraw/zinc/74/54/22/999745422.db2.gz KNAJZFAVCSOQDF-DEOSSOPVSA-N 1 3 420.601 3.957 20 0 HHADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489430284 999766024 /nfs/dbraw/zinc/76/60/24/999766024.db2.gz GRDODQKTCQKTIN-NJYVYQBISA-N 1 3 400.611 3.659 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441933 999768090 /nfs/dbraw/zinc/76/80/90/999768090.db2.gz UHHNSNJAHWYPCW-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000489441933 999768091 /nfs/dbraw/zinc/76/80/91/999768091.db2.gz UHHNSNJAHWYPCW-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455698 999803226 /nfs/dbraw/zinc/80/32/26/999803226.db2.gz WBIHZKUIGXEFEW-PXDATVDWSA-N 1 3 411.590 3.660 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602973 999838234 /nfs/dbraw/zinc/83/82/34/999838234.db2.gz QVTVGOFFACSMMH-OALUTQOASA-N 1 3 415.603 3.820 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602973 999838236 /nfs/dbraw/zinc/83/82/36/999838236.db2.gz QVTVGOFFACSMMH-OALUTQOASA-N 1 3 415.603 3.820 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612508 999840965 /nfs/dbraw/zinc/84/09/65/999840965.db2.gz PCVCLOQGRHLGNT-RBUKOAKNSA-N 1 3 415.603 3.677 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612508 999840966 /nfs/dbraw/zinc/84/09/66/999840966.db2.gz PCVCLOQGRHLGNT-RBUKOAKNSA-N 1 3 415.603 3.677 20 0 HHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000480693259 999860948 /nfs/dbraw/zinc/86/09/48/999860948.db2.gz LVUBWGURNGAAHS-HSZRJFAPSA-N 1 3 409.574 3.836 20 0 HHADHO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000490932096 1000025232 /nfs/dbraw/zinc/02/52/32/1000025232.db2.gz HOHCUPUJOZGPRT-QHCPKHFHSA-N 1 3 424.614 3.674 20 0 HHADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000490954040 1000027075 /nfs/dbraw/zinc/02/70/75/1000027075.db2.gz XKZPTZOZHLTNHO-UHFFFAOYSA-N 1 3 404.624 3.662 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490991945 1000031281 /nfs/dbraw/zinc/03/12/81/1000031281.db2.gz YZYYXNADPVXONB-CJFMBICVSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490991945 1000031282 /nfs/dbraw/zinc/03/12/82/1000031282.db2.gz YZYYXNADPVXONB-CJFMBICVSA-N 1 3 411.565 3.863 20 0 HHADHO Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000492289194 1000120027 /nfs/dbraw/zinc/12/00/27/1000120027.db2.gz IGAQBXYBRUVAHI-HSZRJFAPSA-N 1 3 400.611 3.892 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000493033400 1000154535 /nfs/dbraw/zinc/15/45/35/1000154535.db2.gz DWPOJHPUZMSKSJ-QHCPKHFHSA-N 1 3 419.972 3.548 20 0 HHADHO Cn1cc([C@@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000494745379 1000631781 /nfs/dbraw/zinc/63/17/81/1000631781.db2.gz ISQQKWCVPIYUSR-VWLOTQADSA-N 1 3 422.548 3.956 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000497611016 1001458018 /nfs/dbraw/zinc/45/80/18/1001458018.db2.gz LFRJWBQZOILHIM-YADARESESA-N 1 3 424.589 3.823 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccco1 ZINC000498031327 1001613621 /nfs/dbraw/zinc/61/36/21/1001613621.db2.gz VFXJYNMFKMHWMY-GHTZIAJQSA-N 1 3 418.607 3.888 20 0 HHADHO CN(CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccco1 ZINC000498031327 1001613624 /nfs/dbraw/zinc/61/36/24/1001613624.db2.gz VFXJYNMFKMHWMY-GHTZIAJQSA-N 1 3 418.607 3.888 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129002 1001653745 /nfs/dbraw/zinc/65/37/45/1001653745.db2.gz XWSNDZCNSOGXDG-XUVXKRRUSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129002 1001653749 /nfs/dbraw/zinc/65/37/49/1001653749.db2.gz XWSNDZCNSOGXDG-XUVXKRRUSA-N 1 3 404.624 3.647 20 0 HHADHO Cc1ccccc1[C@@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204342 1001893291 /nfs/dbraw/zinc/89/32/91/1001893291.db2.gz KOXRIQXRZFPBCN-FYYLOGMGSA-N 1 3 405.586 3.954 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694778 1002081543 /nfs/dbraw/zinc/08/15/43/1002081543.db2.gz MUJJAMOIVZRVSW-WIOPSUGQSA-N 1 3 422.617 3.979 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694778 1002081554 /nfs/dbraw/zinc/08/15/54/1002081554.db2.gz MUJJAMOIVZRVSW-WIOPSUGQSA-N 1 3 422.617 3.979 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498714417 1002096933 /nfs/dbraw/zinc/09/69/33/1002096933.db2.gz LGMVSNSZTXYGLX-FPOVZHCZSA-N 1 3 414.619 3.732 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498714417 1002096946 /nfs/dbraw/zinc/09/69/46/1002096946.db2.gz LGMVSNSZTXYGLX-FPOVZHCZSA-N 1 3 414.619 3.732 20 0 HHADHO O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000507513871 1002125092 /nfs/dbraw/zinc/12/50/92/1002125092.db2.gz RTOBICLHCSPRRE-GVXSCFBNSA-N 1 3 424.633 3.993 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC000507954583 1002488236 /nfs/dbraw/zinc/48/82/36/1002488236.db2.gz WNIVRYGOEZHRDT-UHFFFAOYSA-N 1 3 415.622 3.814 20 0 HHADHO C[C@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)CCO1 ZINC000499164061 1002550271 /nfs/dbraw/zinc/55/02/71/1002550271.db2.gz YXYQLPRCDOGRNK-ZNEWLNCYSA-N 1 3 406.574 3.592 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508091258 1002614240 /nfs/dbraw/zinc/61/42/40/1002614240.db2.gz WHHRRKOTRUNNNH-GOSISDBHSA-N 1 3 413.587 3.796 20 0 HHADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508560410 1003030052 /nfs/dbraw/zinc/03/00/52/1003030052.db2.gz JWCVNKVGCYLAOY-QFIPXVFZSA-N 1 3 419.560 3.915 20 0 HHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+](C)C ZINC000508868863 1003289587 /nfs/dbraw/zinc/28/95/87/1003289587.db2.gz WHLUKCHCCLLDGP-NMTNEYKDSA-N 1 3 423.605 3.716 20 0 HHADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1)[NH+](C)C ZINC000508870112 1003290814 /nfs/dbraw/zinc/29/08/14/1003290814.db2.gz KQWLJAFLZGJYEH-DENIHFKCSA-N 1 3 400.567 3.743 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000508894901 1003325509 /nfs/dbraw/zinc/32/55/09/1003325509.db2.gz ONCUEROBNHKBTE-TYBLODHISA-N 1 3 416.606 3.956 20 0 HHADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941894 1003395059 /nfs/dbraw/zinc/39/50/59/1003395059.db2.gz MRMXCLTWGKVCQD-LQWHRVPQSA-N 1 3 411.512 3.820 20 0 HHADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941894 1003395068 /nfs/dbraw/zinc/39/50/68/1003395068.db2.gz MRMXCLTWGKVCQD-LQWHRVPQSA-N 1 3 411.512 3.820 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000500101143 1003463340 /nfs/dbraw/zinc/46/33/40/1003463340.db2.gz WWAGFNBXAMNFKA-UHFFFAOYSA-N 1 3 418.651 3.689 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137296 1003497156 /nfs/dbraw/zinc/49/71/56/1003497156.db2.gz APELLRRKFKZSSU-REWPJTCUSA-N 1 3 418.626 3.744 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137296 1003497162 /nfs/dbraw/zinc/49/71/62/1003497162.db2.gz APELLRRKFKZSSU-REWPJTCUSA-N 1 3 418.626 3.744 20 0 HHADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231494 1003641530 /nfs/dbraw/zinc/64/15/30/1003641530.db2.gz HALBOAWOVGVYMS-LQWHRVPQSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509231494 1003641526 /nfs/dbraw/zinc/64/15/26/1003641526.db2.gz HALBOAWOVGVYMS-LQWHRVPQSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H]([NH2+]C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCOCC1)c1ccccc1 ZINC000500489528 1003744588 /nfs/dbraw/zinc/74/45/88/1003744588.db2.gz LRJGLNOHZKKKNT-OAQYLSRUSA-N 1 3 421.585 3.912 20 0 HHADHO C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000509467916 1003884050 /nfs/dbraw/zinc/88/40/50/1003884050.db2.gz GRTSBFFXPGGFSI-QFIPXVFZSA-N 1 3 419.491 3.819 20 0 HHADHO CCOc1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000509685043 1004028848 /nfs/dbraw/zinc/02/88/48/1004028848.db2.gz VZXGPELYOOLMIX-UHFFFAOYSA-N 1 3 416.610 3.564 20 0 HHADHO CC(C)c1ccc(CCNC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501049925 1004151441 /nfs/dbraw/zinc/15/14/41/1004151441.db2.gz VJPLHZBZULCLHJ-UHFFFAOYSA-N 1 3 408.590 3.712 20 0 HHADHO O=C(CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292358 1004196165 /nfs/dbraw/zinc/19/61/65/1004196165.db2.gz GWNQOESKEUHKMT-AREMUKBSSA-N 1 3 403.570 3.559 20 0 HHADHO O=C(CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc2C1 ZINC000512292358 1004196176 /nfs/dbraw/zinc/19/61/76/1004196176.db2.gz GWNQOESKEUHKMT-AREMUKBSSA-N 1 3 403.570 3.559 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000512318212 1004213746 /nfs/dbraw/zinc/21/37/46/1004213746.db2.gz LWGIFKQRFKQVNC-OKZBNKHCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000512318212 1004213752 /nfs/dbraw/zinc/21/37/52/1004213752.db2.gz LWGIFKQRFKQVNC-OKZBNKHCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000512318212 1004213762 /nfs/dbraw/zinc/21/37/62/1004213762.db2.gz LWGIFKQRFKQVNC-OKZBNKHCSA-N 1 3 403.567 3.664 20 0 HHADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3c4ccc(Cl)cc4NC3=O)CC2)CC1 ZINC000501120340 1004217976 /nfs/dbraw/zinc/21/79/76/1004217976.db2.gz ZNCQKGRZOKMRBP-JOCHJYFZSA-N 1 3 419.013 3.504 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000501363432 1004368379 /nfs/dbraw/zinc/36/83/79/1004368379.db2.gz OYYQOQXUWOFVGB-HBUYNFGHSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000501363432 1004368386 /nfs/dbraw/zinc/36/83/86/1004368386.db2.gz OYYQOQXUWOFVGB-HBUYNFGHSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386035 1004382216 /nfs/dbraw/zinc/38/22/16/1004382216.db2.gz OSAKFSIFBSQEAN-PEARBKPGSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386035 1004382223 /nfs/dbraw/zinc/38/22/23/1004382223.db2.gz OSAKFSIFBSQEAN-PEARBKPGSA-N 1 3 420.601 3.859 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391654 1004387143 /nfs/dbraw/zinc/38/71/43/1004387143.db2.gz MXORZUICMDFBIS-KWOQKUFVSA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391654 1004387155 /nfs/dbraw/zinc/38/71/55/1004387155.db2.gz MXORZUICMDFBIS-KWOQKUFVSA-N 1 3 424.589 3.508 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)nc(C)n1 ZINC000512646884 1004458003 /nfs/dbraw/zinc/45/80/03/1004458003.db2.gz DXVFLLNVKUKELA-ICDZXHCJSA-N 1 3 419.617 3.953 20 0 HHADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000512660857 1004471042 /nfs/dbraw/zinc/47/10/42/1004471042.db2.gz OZZQFECGXHBAKY-YTFSRNRJSA-N 1 3 407.606 3.827 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664571 1004475277 /nfs/dbraw/zinc/47/52/77/1004475277.db2.gz AGGAYOSRUVRURH-NNMXDRDESA-N 1 3 413.512 3.585 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664571 1004475283 /nfs/dbraw/zinc/47/52/83/1004475283.db2.gz AGGAYOSRUVRURH-NNMXDRDESA-N 1 3 413.512 3.585 20 0 HHADHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782856 1004724352 /nfs/dbraw/zinc/72/43/52/1004724352.db2.gz WVCOUOZXZZHEMJ-FCHUYYIVSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782856 1004724359 /nfs/dbraw/zinc/72/43/59/1004724359.db2.gz WVCOUOZXZZHEMJ-FCHUYYIVSA-N 1 3 409.578 3.842 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3ccc(Br)cc32)cc1 ZINC000510649898 1004779012 /nfs/dbraw/zinc/77/90/12/1004779012.db2.gz IQMYPGQLDGNNCI-FQEVSTJZSA-N 1 3 416.363 3.518 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216680 1004865632 /nfs/dbraw/zinc/86/56/32/1004865632.db2.gz GRRXCLPAKYCFIJ-VWLOTQADSA-N 1 3 420.601 3.611 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216680 1004865642 /nfs/dbraw/zinc/86/56/42/1004865642.db2.gz GRRXCLPAKYCFIJ-VWLOTQADSA-N 1 3 420.601 3.611 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321477 1005010907 /nfs/dbraw/zinc/01/09/07/1005010907.db2.gz NWZMKALPLLOFIW-QFIPXVFZSA-N 1 3 407.606 3.741 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000502321477 1005010913 /nfs/dbraw/zinc/01/09/13/1005010913.db2.gz NWZMKALPLLOFIW-QFIPXVFZSA-N 1 3 407.606 3.741 20 0 HHADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@H]21 ZINC000513659791 1005070336 /nfs/dbraw/zinc/07/03/36/1005070336.db2.gz DFIYNZOZFXAOLQ-YQFWSFKMSA-N 1 3 402.892 3.795 20 0 HHADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@@H]2CCC[C@H]21 ZINC000513659791 1005070341 /nfs/dbraw/zinc/07/03/41/1005070341.db2.gz DFIYNZOZFXAOLQ-YQFWSFKMSA-N 1 3 402.892 3.795 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N3CCCN(Cc4ccccc4)CC3)CC2)CC1 ZINC000502786661 1005217118 /nfs/dbraw/zinc/21/71/18/1005217118.db2.gz AZWLARRDQPYDEV-UHFFFAOYSA-N 1 3 412.622 3.947 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000502788591 1005217915 /nfs/dbraw/zinc/21/79/15/1005217915.db2.gz HTHCOHVLAQUXHF-UHFFFAOYSA-N 1 3 404.599 3.704 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010173 1005226706 /nfs/dbraw/zinc/22/67/06/1005226706.db2.gz UIPGEXGCRCZARZ-GBXCKJPGSA-N 1 3 406.574 3.917 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000502846391 1005242253 /nfs/dbraw/zinc/24/22/53/1005242253.db2.gz DLLVJGFCBLTAFY-LPHOPBHVSA-N 1 3 414.516 3.824 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000511632651 1005253083 /nfs/dbraw/zinc/25/30/83/1005253083.db2.gz YBSFZEXSJWUWIG-UHFFFAOYSA-N 1 3 415.622 3.924 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000502876861 1005254779 /nfs/dbraw/zinc/25/47/79/1005254779.db2.gz OUXAFMGAYVMMRK-NZQKXSOJSA-N 1 3 416.610 3.643 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000502876861 1005254784 /nfs/dbraw/zinc/25/47/84/1005254784.db2.gz OUXAFMGAYVMMRK-NZQKXSOJSA-N 1 3 416.610 3.643 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000502889492 1005261002 /nfs/dbraw/zinc/26/10/02/1005261002.db2.gz XLQGQNXYHWLEGP-NZQKXSOJSA-N 1 3 416.610 3.643 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000502889492 1005261003 /nfs/dbraw/zinc/26/10/03/1005261003.db2.gz XLQGQNXYHWLEGP-NZQKXSOJSA-N 1 3 416.610 3.643 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)[NH+](C)C)cc1 ZINC000514175783 1005299082 /nfs/dbraw/zinc/29/90/82/1005299082.db2.gz FTPVIYVBSUOWCL-WOJBJXKFSA-N 1 3 400.592 3.796 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)N(C)C)cc1 ZINC000503339507 1005393491 /nfs/dbraw/zinc/39/34/91/1005393491.db2.gz FZYRYYPIZFNEMY-FYYLOGMGSA-N 1 3 400.611 3.751 20 0 HHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174513 1005566870 /nfs/dbraw/zinc/56/68/70/1005566870.db2.gz AEOFQZMZCHSEKT-URXFXBBRSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174513 1005566873 /nfs/dbraw/zinc/56/68/73/1005566873.db2.gz AEOFQZMZCHSEKT-URXFXBBRSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc2ccccc2s1 ZINC000504238282 1005579925 /nfs/dbraw/zinc/57/99/25/1005579925.db2.gz ZMHCAUBOJOWZIV-MRXNPFEDSA-N 1 3 400.592 3.820 20 0 HHADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000531683489 1006352618 /nfs/dbraw/zinc/35/26/18/1006352618.db2.gz LOPVJYSPPYPDFX-QFIPXVFZSA-N 1 3 422.617 3.745 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)N2CCCCC2)cc1 ZINC000515291110 1006379846 /nfs/dbraw/zinc/37/98/46/1006379846.db2.gz WPONNFLPLAILIC-RPWUZVMVSA-N 1 3 424.589 3.824 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448947 1006430275 /nfs/dbraw/zinc/43/02/75/1006430275.db2.gz YILIMHZIGDSINC-ZEQRLZLVSA-N 1 3 412.622 3.833 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015411 1006576739 /nfs/dbraw/zinc/57/67/39/1006576739.db2.gz FVOAUDAWAFMPPF-RTWAWAEBSA-N 1 3 416.587 3.803 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OCc1cccs1 ZINC000532015412 1006576965 /nfs/dbraw/zinc/57/69/65/1006576965.db2.gz FVOAUDAWAFMPPF-SFTDATJTSA-N 1 3 416.587 3.803 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Cl)c(Br)c2)cc1 ZINC000538430385 1006695835 /nfs/dbraw/zinc/69/58/35/1006695835.db2.gz ATYSFVPZWOVAAO-UHFFFAOYSA-N 1 3 424.770 3.684 20 0 HHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000532194190 1006711905 /nfs/dbraw/zinc/71/19/05/1006711905.db2.gz KQNISHQZPZMYLW-HXUWFJFHSA-N 1 3 403.574 3.779 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000532321591 1006793220 /nfs/dbraw/zinc/79/32/20/1006793220.db2.gz BMYLBZNNUYTWSR-FQEVSTJZSA-N 1 3 413.997 3.636 20 0 HHADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000532441982 1006886150 /nfs/dbraw/zinc/88/61/50/1006886150.db2.gz TZQSFJGCHLOCND-MZYLBHOOSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441982 1006886167 /nfs/dbraw/zinc/88/61/67/1006886167.db2.gz TZQSFJGCHLOCND-MZYLBHOOSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441982 1006886184 /nfs/dbraw/zinc/88/61/84/1006886184.db2.gz TZQSFJGCHLOCND-MZYLBHOOSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723146 1006998925 /nfs/dbraw/zinc/99/89/25/1006998925.db2.gz LTQFEOQCUGRVQZ-QPPBQGQZSA-N 1 3 423.649 3.687 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723146 1006998942 /nfs/dbraw/zinc/99/89/42/1006998942.db2.gz LTQFEOQCUGRVQZ-QPPBQGQZSA-N 1 3 423.649 3.687 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(Cl)cc1 ZINC000538944171 1007228485 /nfs/dbraw/zinc/22/84/85/1007228485.db2.gz ORYNHWPCTPRUMI-UHFFFAOYSA-N 1 3 400.954 3.590 20 0 HHADHO COc1ccccc1[C@H](C)N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944850 1007229623 /nfs/dbraw/zinc/22/96/23/1007229623.db2.gz AEIBKPXBPQRBRB-FQEVSTJZSA-N 1 3 424.589 3.848 20 0 HHADHO COc1ccccc1[C@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945740 1007230215 /nfs/dbraw/zinc/23/02/15/1007230215.db2.gz HCZXZJCIRBCBCK-IBGZPJMESA-N 1 3 410.562 3.506 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613011 1007817454 /nfs/dbraw/zinc/81/74/54/1007817454.db2.gz RBUVQXTYDFFTIR-NZQKXSOJSA-N 1 3 401.595 3.847 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C)cc1 ZINC000517613011 1007817483 /nfs/dbraw/zinc/81/74/83/1007817483.db2.gz RBUVQXTYDFFTIR-NZQKXSOJSA-N 1 3 401.595 3.847 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576614 1007892409 /nfs/dbraw/zinc/89/24/09/1007892409.db2.gz PLFDCUCPLRVQCQ-VQTJNVASSA-N 1 3 411.512 3.874 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000518403938 1008291062 /nfs/dbraw/zinc/29/10/62/1008291062.db2.gz ZOLRYPWHXBENQY-HUVFLSCGSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000518403938 1008291065 /nfs/dbraw/zinc/29/10/65/1008291065.db2.gz ZOLRYPWHXBENQY-HUVFLSCGSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157100 1008314868 /nfs/dbraw/zinc/31/48/68/1008314868.db2.gz VOYZSKVOWOEZMW-YROCYRMSSA-N 1 3 415.965 3.903 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157098 1008315101 /nfs/dbraw/zinc/31/51/01/1008315101.db2.gz VOYZSKVOWOEZMW-JFJYTDJESA-N 1 3 415.965 3.903 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301486 1008372585 /nfs/dbraw/zinc/37/25/85/1008372585.db2.gz ZTIGUNRSIQFLEE-UPVQGACJSA-N 1 3 407.558 3.633 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000540301486 1008372588 /nfs/dbraw/zinc/37/25/88/1008372588.db2.gz ZTIGUNRSIQFLEE-UPVQGACJSA-N 1 3 407.558 3.633 20 0 HHADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000543020927 1008599222 /nfs/dbraw/zinc/59/92/22/1008599222.db2.gz JXACVNGTPYVCHL-QHCPKHFHSA-N 1 3 400.611 3.654 20 0 HHADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549084122 1008648028 /nfs/dbraw/zinc/64/80/28/1008648028.db2.gz YUKQQVQKGJRHMU-UHFFFAOYSA-N 1 3 420.601 3.615 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000519501137 1008872574 /nfs/dbraw/zinc/87/25/74/1008872574.db2.gz LCYAQGBPYVCXQY-QFIPXVFZSA-N 1 3 414.981 3.688 20 0 HHADHO COc1cccc(OC)c1OCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519724003 1008977571 /nfs/dbraw/zinc/97/75/71/1008977571.db2.gz JTCYGAKUZHAHNU-BGYRXZFFSA-N 1 3 420.594 3.684 20 0 HHADHO C[NH+](C)CC1CCC(NCc2c(Br)cncc2Br)CC1 ZINC000519795070 1009013350 /nfs/dbraw/zinc/01/33/50/1009013350.db2.gz XZQIYAOZVBYWAR-UHFFFAOYSA-N 1 3 405.178 3.817 20 0 HHADHO C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460037 1009044870 /nfs/dbraw/zinc/04/48/70/1009044870.db2.gz GHVSZNLYWPTAIO-MPGHIAIKSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460037 1009044882 /nfs/dbraw/zinc/04/48/82/1009044882.db2.gz GHVSZNLYWPTAIO-MPGHIAIKSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461624 1009047659 /nfs/dbraw/zinc/04/76/59/1009047659.db2.gz OKPCECKVSASATC-HZPDHXFCSA-N 1 3 413.635 3.937 20 0 HHADHO C[C@@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461624 1009047674 /nfs/dbraw/zinc/04/76/74/1009047674.db2.gz OKPCECKVSASATC-HZPDHXFCSA-N 1 3 413.635 3.937 20 0 HHADHO C[C@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543461625 1009048560 /nfs/dbraw/zinc/04/85/60/1009048560.db2.gz OKPCECKVSASATC-JKSUJKDBSA-N 1 3 413.635 3.937 20 0 HHADHO C[C@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543461625 1009048579 /nfs/dbraw/zinc/04/85/79/1009048579.db2.gz OKPCECKVSASATC-JKSUJKDBSA-N 1 3 413.635 3.937 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000520129799 1009282586 /nfs/dbraw/zinc/28/25/86/1009282586.db2.gz TTYDHAVKXAGYAJ-RTBURBONSA-N 1 3 424.580 3.796 20 0 HHADHO C[NH+](C)CCOc1ccc(CCN[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000520634373 1009711635 /nfs/dbraw/zinc/71/16/35/1009711635.db2.gz FGURXJOLNXMDDG-DEOSSOPVSA-N 1 3 409.574 3.513 20 0 HHADHO CS(=O)(=O)CC1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000551030166 1010327002 /nfs/dbraw/zinc/32/70/02/1010327002.db2.gz ZJZHGMKZRFSQSI-UHFFFAOYSA-N 1 3 413.027 3.745 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000521688933 1010552338 /nfs/dbraw/zinc/55/23/38/1010552338.db2.gz KQJKOVPAGKRGOK-OAQYLSRUSA-N 1 3 410.553 3.549 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000521815146 1010637291 /nfs/dbraw/zinc/63/72/91/1010637291.db2.gz KGTXLYZFSBPLSP-UHFFFAOYSA-N 1 3 407.562 3.558 20 0 HHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccc(Br)cn3)CC2)c1 ZINC000522239483 1010882869 /nfs/dbraw/zinc/88/28/69/1010882869.db2.gz RCPYBHBAPOLYGV-UHFFFAOYSA-N 1 3 417.395 3.845 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000522287882 1010908252 /nfs/dbraw/zinc/90/82/52/1010908252.db2.gz LGCASIBYTWCTMY-RUZDIDTESA-N 1 3 422.617 3.633 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000522287882 1010908257 /nfs/dbraw/zinc/90/82/57/1010908257.db2.gz LGCASIBYTWCTMY-RUZDIDTESA-N 1 3 422.617 3.633 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)N(C)C)cc1 ZINC000522408380 1010988722 /nfs/dbraw/zinc/98/87/22/1010988722.db2.gz BXBMFXBNZDTEMR-QFIPXVFZSA-N 1 3 414.619 3.871 20 0 HHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830472 1011267082 /nfs/dbraw/zinc/26/70/82/1011267082.db2.gz WPUAUFSFDLGKCP-SQJMNOBHSA-N 1 3 420.601 3.984 20 0 HHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000522830472 1011267093 /nfs/dbraw/zinc/26/70/93/1011267093.db2.gz WPUAUFSFDLGKCP-SQJMNOBHSA-N 1 3 420.601 3.984 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522869318 1011311549 /nfs/dbraw/zinc/31/15/49/1011311549.db2.gz OOWQKKSSNNDGEZ-VWLOTQADSA-N 1 3 420.601 3.986 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991770 1011624847 /nfs/dbraw/zinc/62/48/47/1011624847.db2.gz KMKKEUCSBJFLKA-GHTZIAJQSA-N 1 3 406.448 3.929 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991770 1011624853 /nfs/dbraw/zinc/62/48/53/1011624853.db2.gz KMKKEUCSBJFLKA-GHTZIAJQSA-N 1 3 406.448 3.929 20 0 HHADHO C[C@@H](Oc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1)c1ccccc1 ZINC000523305516 1011783806 /nfs/dbraw/zinc/78/38/06/1011783806.db2.gz NGLNNRFMIHRLSF-LJQANCHMSA-N 1 3 422.573 3.510 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000541215349 1011886655 /nfs/dbraw/zinc/88/66/55/1011886655.db2.gz WVQANJYJJVHKQM-KRWDZBQOSA-N 1 3 403.567 3.665 20 0 HHADHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536724941 1011896754 /nfs/dbraw/zinc/89/67/54/1011896754.db2.gz XIJVAYLLIATETK-XXBNENTESA-N 1 3 422.573 3.648 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365593 1012375091 /nfs/dbraw/zinc/37/50/91/1012375091.db2.gz JXMKCBCKCLRFQL-BAGYTPMASA-N 1 3 417.544 3.619 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000552365593 1012375096 /nfs/dbraw/zinc/37/50/96/1012375096.db2.gz JXMKCBCKCLRFQL-BAGYTPMASA-N 1 3 417.544 3.619 20 0 HHADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745287 1012603218 /nfs/dbraw/zinc/60/32/18/1012603218.db2.gz YNKREKLRMWCZKL-DHIUTWEWSA-N 1 3 400.588 3.931 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919152 1012779549 /nfs/dbraw/zinc/77/95/49/1012779549.db2.gz UKXIEJQYSJCWLI-KXBFYZLASA-N 1 3 406.473 3.714 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000541919152 1012779563 /nfs/dbraw/zinc/77/95/63/1012779563.db2.gz UKXIEJQYSJCWLI-KXBFYZLASA-N 1 3 406.473 3.714 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541985057 1012860386 /nfs/dbraw/zinc/86/03/86/1012860386.db2.gz VUAXFXAEEMVMCC-HSZRJFAPSA-N 1 3 419.613 3.752 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000552899818 1012901294 /nfs/dbraw/zinc/90/12/94/1012901294.db2.gz VZFFSEIITQUYJV-OAHLLOKOSA-N 1 3 409.452 3.727 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc4cc(OC)ccc4c3)CC2)CC1 ZINC000552906189 1012906500 /nfs/dbraw/zinc/90/65/00/1012906500.db2.gz QMMSCFWAIIMOGJ-UHFFFAOYSA-N 1 3 409.574 3.661 20 0 HHADHO COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272056 1072058779 /nfs/dbraw/zinc/05/87/79/1072058779.db2.gz KBHSHFOUPLSSLC-ZEQRLZLVSA-N 1 3 406.570 3.918 20 0 HHADHO C[NH+](C)C1CCC(NCC(=O)c2cc(Br)sc2Br)CC1 ZINC001168303965 1072469252 /nfs/dbraw/zinc/46/92/52/1072469252.db2.gz HQMBLQGZIYPBAG-UHFFFAOYSA-N 1 3 424.202 3.918 20 0 HHADHO CC(C)CCN1[C@]2(CCN(C3CCC([NH+](C)C)CC3)C2)c2ccccc2S1(=O)=O ZINC001168318896 1072497035 /nfs/dbraw/zinc/49/70/35/1072497035.db2.gz HVSPOIPTKKWUFK-XPJNUEMQSA-N 1 3 419.635 3.511 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000571574766 1072661293 /nfs/dbraw/zinc/66/12/93/1072661293.db2.gz CIQJEUIEXKDYKC-OEMFJLHTSA-N 1 3 407.606 3.967 20 0 HHADHO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168379383 1072664514 /nfs/dbraw/zinc/66/45/14/1072664514.db2.gz JGABNASJYUKYCR-XMMPIXPASA-N 1 3 424.633 3.919 20 0 HHADHO CC(=O)c1ccc(OC[C@H](O)CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871899 1072917252 /nfs/dbraw/zinc/91/72/52/1072917252.db2.gz ZWCCQZAJIQJWGD-OHUGHZGNSA-N 1 3 424.585 3.897 20 0 HHADHO CC(=O)c1ccc(OC[C@H](O)CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000554871899 1072917268 /nfs/dbraw/zinc/91/72/68/1072917268.db2.gz ZWCCQZAJIQJWGD-OHUGHZGNSA-N 1 3 424.585 3.897 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000588708715 1073154964 /nfs/dbraw/zinc/15/49/64/1073154964.db2.gz CZDIXZCFNFMBOA-CALCHBBNSA-N 1 3 404.580 3.552 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000588770148 1073220970 /nfs/dbraw/zinc/22/09/70/1073220970.db2.gz NMCLBFCAIWOWTJ-JOCHJYFZSA-N 1 3 410.562 3.972 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000588770148 1073220974 /nfs/dbraw/zinc/22/09/74/1073220974.db2.gz NMCLBFCAIWOWTJ-JOCHJYFZSA-N 1 3 410.562 3.972 20 0 HHADHO Cc1nc(C(C)C)ccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000555379793 1073389026 /nfs/dbraw/zinc/38/90/26/1073389026.db2.gz MCGIWJOACKTZFD-UHFFFAOYSA-N 1 3 422.617 3.974 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792725 1075510383 /nfs/dbraw/zinc/51/03/83/1075510383.db2.gz CYBMPBHLJHBVID-NRFANRHFSA-N 1 3 422.658 3.611 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792725 1075510388 /nfs/dbraw/zinc/51/03/88/1075510388.db2.gz CYBMPBHLJHBVID-NRFANRHFSA-N 1 3 422.658 3.611 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000303039138 971470572 /nfs/dbraw/zinc/47/05/72/971470572.db2.gz PNIZQCGZODXPDL-UHFFFAOYSA-N 1 3 423.557 3.533 20 0 HHADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000303108493 971508314 /nfs/dbraw/zinc/50/83/14/971508314.db2.gz JUJMRWNNUAXHES-OAQYLSRUSA-N 1 3 411.512 3.820 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000303820080 972052428 /nfs/dbraw/zinc/05/24/28/972052428.db2.gz JVZLYCKTTIWNMH-IRXDYDNUSA-N 1 3 418.969 3.754 20 0 HHADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843676 1013406884 /nfs/dbraw/zinc/40/68/84/1013406884.db2.gz SNSMOTRRWAKRJJ-LJQANCHMSA-N 1 3 412.553 3.506 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)s1 ZINC000537969476 1013546539 /nfs/dbraw/zinc/54/65/39/1013546539.db2.gz BPIKRUKQLOYDDA-CYBMUJFWSA-N 1 3 410.381 3.653 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975618 1013552042 /nfs/dbraw/zinc/55/20/42/1013552042.db2.gz WMWYMRQZYBDNMC-FUHWJXTLSA-N 1 3 401.938 3.737 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989278 1013563516 /nfs/dbraw/zinc/56/35/16/1013563516.db2.gz ALZXJSBTDDDEFU-BWKNWUBXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989278 1013563524 /nfs/dbraw/zinc/56/35/24/1013563524.db2.gz ALZXJSBTDDDEFU-BWKNWUBXSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000054718935 965621511 /nfs/dbraw/zinc/62/15/11/965621511.db2.gz UIPGEXGCRCZARZ-YKSBVNFPSA-N 1 3 406.574 3.917 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000553778001 1013607420 /nfs/dbraw/zinc/60/74/20/1013607420.db2.gz CRXIRUNDYRTKPD-UHFFFAOYSA-N 1 3 412.578 3.716 20 0 HHADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000542712717 1013625381 /nfs/dbraw/zinc/62/53/81/1013625381.db2.gz MITNESBXMNLKML-OFNKIYASSA-N 1 3 400.611 3.831 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000060524211 966190540 /nfs/dbraw/zinc/19/05/40/966190540.db2.gz KVTOMKNSIVLLCK-QFIPXVFZSA-N 1 3 417.601 3.963 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000061231003 966404316 /nfs/dbraw/zinc/40/43/16/966404316.db2.gz XAMPZCRIJSMZHD-OAQYLSRUSA-N 1 3 412.603 3.980 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000061902166 966578427 /nfs/dbraw/zinc/57/84/27/966578427.db2.gz XAKNWLGXXLQMIV-DEOSSOPVSA-N 1 3 406.574 3.746 20 0 HHADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528348 966698662 /nfs/dbraw/zinc/69/86/62/966698662.db2.gz PYSSANVPLQHGPA-UHFFFAOYSA-N 1 3 418.601 3.944 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N2CCCC2)cc1 ZINC000064237163 967100774 /nfs/dbraw/zinc/10/07/74/967100774.db2.gz QKKUAKFCLVLGLA-QHCPKHFHSA-N 1 3 400.611 3.943 20 0 HHADHO CC[C@@H](N[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141423 1013702725 /nfs/dbraw/zinc/70/27/25/1013702725.db2.gz MITCBTRRNSJXOT-NTKDMRAZSA-N 1 3 409.574 3.905 20 0 HHADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000542844928 1013704038 /nfs/dbraw/zinc/70/40/38/1013704038.db2.gz ZUYCUZQZYGDWIZ-OAQYLSRUSA-N 1 3 408.590 3.894 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848723 1013707549 /nfs/dbraw/zinc/70/75/49/1013707549.db2.gz AYGYBKIWHFLYSD-YADARESESA-N 1 3 407.558 3.621 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000542848723 1013707556 /nfs/dbraw/zinc/70/75/56/1013707556.db2.gz AYGYBKIWHFLYSD-YADARESESA-N 1 3 407.558 3.621 20 0 HHADHO COc1c(Br)cc(C[NH2+]C[C@H]2CCCN(C)C2)cc1Br ZINC000044533243 967231539 /nfs/dbraw/zinc/23/15/39/967231539.db2.gz GIQVKPGWHORFGK-LLVKDONJSA-N 1 3 406.162 3.652 20 0 HHADHO CN(C)CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045192104 967376699 /nfs/dbraw/zinc/37/66/99/967376699.db2.gz ZXBYIJBQDDEVPN-UHFFFAOYSA-N 1 3 408.590 3.598 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000065522900 967506729 /nfs/dbraw/zinc/50/67/29/967506729.db2.gz ZOLRYPWHXBENQY-QDSKXPNFSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000065522900 967506735 /nfs/dbraw/zinc/50/67/35/967506735.db2.gz ZOLRYPWHXBENQY-QDSKXPNFSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@H](NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccn1C ZINC000538205711 1013759788 /nfs/dbraw/zinc/75/97/88/1013759788.db2.gz ZSPYRYOTVRYYDR-KRWDZBQOSA-N 1 3 409.500 3.692 20 0 HHADHO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000538278387 1013817178 /nfs/dbraw/zinc/81/71/78/1013817178.db2.gz VXOLWIZIVVEACS-NRFANRHFSA-N 1 3 420.601 3.850 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000110434855 969667358 /nfs/dbraw/zinc/66/73/58/969667358.db2.gz HLHJILOOAZETOR-IRXDYDNUSA-N 1 3 411.384 3.649 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000110434852 969667449 /nfs/dbraw/zinc/66/74/49/969667449.db2.gz HLHJILOOAZETOR-CALCHBBNSA-N 1 3 411.384 3.649 20 0 HHADHO CSc1ccccc1NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110990676 969755578 /nfs/dbraw/zinc/75/55/78/969755578.db2.gz ZCVSGCSRUJZSLD-HDICACEKSA-N 1 3 405.608 3.558 20 0 HHADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1OC(F)F ZINC000215996534 970059516 /nfs/dbraw/zinc/05/95/16/970059516.db2.gz MUFVNKQQNBXNJC-LJQANCHMSA-N 1 3 424.536 3.597 20 0 HHADHO CCCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000216002456 970059684 /nfs/dbraw/zinc/05/96/84/970059684.db2.gz YBLPTMMDDRDBRT-UHFFFAOYSA-N 1 3 408.974 3.809 20 0 HHADHO c1c(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000236635600 970150306 /nfs/dbraw/zinc/15/03/06/970150306.db2.gz KSKUKHKDGLRDMY-FQEVSTJZSA-N 1 3 417.557 3.525 20 0 HHADHO c1[nH]nc(-c2ccccc2)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000236698068 970157503 /nfs/dbraw/zinc/15/75/03/970157503.db2.gz UVYWNBGXQUDYLA-UHFFFAOYSA-N 1 3 403.574 3.764 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000236848696 970179396 /nfs/dbraw/zinc/17/93/96/970179396.db2.gz HRQOZLQWYSYMLN-QFIPXVFZSA-N 1 3 417.601 3.714 20 0 HHADHO CCN(CC)[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236874296 970183220 /nfs/dbraw/zinc/18/32/20/970183220.db2.gz JZAXAVXMERYUDN-HSZRJFAPSA-N 1 3 409.574 3.516 20 0 HHADHO C[NH+](C)CCOc1cccc(CNCC2=Cc3cc(Br)ccc3OC2)c1 ZINC000236978922 970198784 /nfs/dbraw/zinc/19/87/84/970198784.db2.gz YBDVQUOQOPCKMT-UHFFFAOYSA-N 1 3 417.347 3.955 20 0 HHADHO COCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000237129434 970228079 /nfs/dbraw/zinc/22/80/79/970228079.db2.gz CZPOYWKHVRNUEJ-UHFFFAOYSA-N 1 3 408.521 3.879 20 0 HHADHO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNC1CCN(CC[NH+](C)C)CC1 ZINC000237166687 970234201 /nfs/dbraw/zinc/23/42/01/970234201.db2.gz JKPYIGPVRIKGGU-UHFFFAOYSA-N 1 3 404.002 3.567 20 0 HHADHO C[N@@H+]1CCCN(CCCNCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000237173501 970236123 /nfs/dbraw/zinc/23/61/23/970236123.db2.gz HBOMBCGNMXTEDC-UHFFFAOYSA-N 1 3 423.424 3.690 20 0 HHADHO C[N@H+]1CCCN(CCCNCc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000237173501 970236134 /nfs/dbraw/zinc/23/61/34/970236134.db2.gz HBOMBCGNMXTEDC-UHFFFAOYSA-N 1 3 423.424 3.690 20 0 HHADHO Cc1cccc(-c2n[nH]cc2CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000237876509 970386694 /nfs/dbraw/zinc/38/66/94/970386694.db2.gz MSXHZUDVYFJNGB-UHFFFAOYSA-N 1 3 417.557 3.501 20 0 HHADHO CC1CCN([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)c2cccs2)CC1 ZINC000195547993 970505488 /nfs/dbraw/zinc/50/54/88/970505488.db2.gz UUVXLHHNFWSVEM-FQEVSTJZSA-N 1 3 404.624 3.695 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000426814345 974680075 /nfs/dbraw/zinc/68/00/75/974680075.db2.gz FKQCHYMVNPCEJH-QZTJIDSGSA-N 1 3 407.986 3.880 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830482 974694944 /nfs/dbraw/zinc/69/49/44/974694944.db2.gz YMBRBDHFIOOISK-BHIFYINESA-N 1 3 415.622 3.553 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830482 974694945 /nfs/dbraw/zinc/69/49/45/974694945.db2.gz YMBRBDHFIOOISK-BHIFYINESA-N 1 3 415.622 3.553 20 0 HHADHO C[C@H](CSc1ccc(F)cc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000426844638 974707071 /nfs/dbraw/zinc/70/70/71/974707071.db2.gz DRMUWQHWTBNHGF-GOSISDBHSA-N 1 3 407.599 3.620 20 0 HHADHO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427674022 975233853 /nfs/dbraw/zinc/23/38/53/975233853.db2.gz YRNVGJIQGBTYQN-MQSCRBSSSA-N 1 3 418.622 3.761 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846672 975318869 /nfs/dbraw/zinc/31/88/69/975318869.db2.gz ANKNMWLWKUMMON-QUCCMNQESA-N 1 3 405.464 3.834 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846672 975318874 /nfs/dbraw/zinc/31/88/74/975318874.db2.gz ANKNMWLWKUMMON-QUCCMNQESA-N 1 3 405.464 3.834 20 0 HHADHO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000428243756 975559598 /nfs/dbraw/zinc/55/95/98/975559598.db2.gz UPEIXSMZLXRGCV-BPJRBCGYSA-N 1 3 407.606 3.669 20 0 HHADHO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429018255 976299641 /nfs/dbraw/zinc/29/96/41/976299641.db2.gz GXENHAKAOBMPIC-HXUWFJFHSA-N 1 3 408.384 3.812 20 0 HHADHO Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429018255 976299646 /nfs/dbraw/zinc/29/96/46/976299646.db2.gz GXENHAKAOBMPIC-HXUWFJFHSA-N 1 3 408.384 3.812 20 0 HHADHO CC1CCN([C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000429074169 976358940 /nfs/dbraw/zinc/35/89/40/976358940.db2.gz FVBIUCNXQJAKQO-SOAGJPPSSA-N 1 3 406.640 3.941 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000429344626 976608422 /nfs/dbraw/zinc/60/84/22/976608422.db2.gz KKKUAPLIQBHFRR-VWLOTQADSA-N 1 3 423.601 3.939 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000429344626 976608428 /nfs/dbraw/zinc/60/84/28/976608428.db2.gz KKKUAPLIQBHFRR-VWLOTQADSA-N 1 3 423.601 3.939 20 0 HHADHO OC[C@H](CNC1CC[NH+](C2CCCCC2)CC1)Cc1cccc(Br)c1 ZINC000429435326 976714361 /nfs/dbraw/zinc/71/43/61/976714361.db2.gz UCWQTZQAALOFLD-SFHVURJKSA-N 1 3 409.412 3.987 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430219266 977398756 /nfs/dbraw/zinc/39/87/56/977398756.db2.gz OJIHQQXUYNUELC-VWLOTQADSA-N 1 3 424.589 3.940 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430219266 977398764 /nfs/dbraw/zinc/39/87/64/977398764.db2.gz OJIHQQXUYNUELC-VWLOTQADSA-N 1 3 424.589 3.940 20 0 HHADHO Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000431136353 978041654 /nfs/dbraw/zinc/04/16/54/978041654.db2.gz IXJRGBNMRRIYDZ-HXUWFJFHSA-N 1 3 424.593 3.587 20 0 HHADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000431922375 978603056 /nfs/dbraw/zinc/60/30/56/978603056.db2.gz JHSMFHBXUKQSQM-RUZDIDTESA-N 1 3 422.617 3.706 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423079 978805711 /nfs/dbraw/zinc/80/57/11/978805711.db2.gz WQSCWERCBGAWBI-GDAAHCPNSA-N 1 3 411.512 3.847 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423079 978805712 /nfs/dbraw/zinc/80/57/12/978805712.db2.gz WQSCWERCBGAWBI-GDAAHCPNSA-N 1 3 411.512 3.847 20 0 HHADHO C[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000432770911 978969129 /nfs/dbraw/zinc/96/91/29/978969129.db2.gz YJAVSROXDNWEFJ-IBGZPJMESA-N 1 3 416.635 3.616 20 0 HHADHO C[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000432770911 978969132 /nfs/dbraw/zinc/96/91/32/978969132.db2.gz YJAVSROXDNWEFJ-IBGZPJMESA-N 1 3 416.635 3.616 20 0 HHADHO O=c1[nH]c(CCN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccccc21 ZINC000433172803 979117575 /nfs/dbraw/zinc/11/75/75/979117575.db2.gz IJYFYFDEPBETOQ-UHFFFAOYSA-N 1 3 402.542 3.866 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CCCC4)c4cccc(F)c43)CC2)CC1 ZINC000433336512 979246191 /nfs/dbraw/zinc/24/61/91/979246191.db2.gz PXLLFQVNNWAQHX-UHFFFAOYSA-N 1 3 414.569 3.726 20 0 HHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)nn2[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000435525107 980919794 /nfs/dbraw/zinc/91/97/94/980919794.db2.gz HWVMTDVBQRFHFG-FGZHOGPDSA-N 1 3 424.593 3.587 20 0 HHADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000436369012 981330437 /nfs/dbraw/zinc/33/04/37/981330437.db2.gz ULUHRMYWILSOSV-CEXWTWQISA-N 1 3 400.567 3.701 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466115 981800995 /nfs/dbraw/zinc/80/09/95/981800995.db2.gz MIGILULBEDXFGB-YZGWKJHDSA-N 1 3 402.608 3.543 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448466115 981801002 /nfs/dbraw/zinc/80/10/02/981801002.db2.gz MIGILULBEDXFGB-YZGWKJHDSA-N 1 3 402.608 3.543 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469708 981809218 /nfs/dbraw/zinc/80/92/18/981809218.db2.gz AZOGSFQUXOJYAV-JTHBVZDNSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469708 981809230 /nfs/dbraw/zinc/80/92/30/981809230.db2.gz AZOGSFQUXOJYAV-JTHBVZDNSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000448475855 981819385 /nfs/dbraw/zinc/81/93/85/981819385.db2.gz WSIMCWXPAFJXGA-GGAORHGYSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000448475855 981819396 /nfs/dbraw/zinc/81/93/96/981819396.db2.gz WSIMCWXPAFJXGA-GGAORHGYSA-N 1 3 400.611 3.660 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525332 981854464 /nfs/dbraw/zinc/85/44/64/981854464.db2.gz PZWWEFAUSYSLGH-AJSBUHFISA-N 1 3 414.638 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@@H](C)C1 ZINC000448525332 981854468 /nfs/dbraw/zinc/85/44/68/981854468.db2.gz PZWWEFAUSYSLGH-AJSBUHFISA-N 1 3 414.638 3.831 20 0 HHADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327498 982725449 /nfs/dbraw/zinc/72/54/49/982725449.db2.gz XRAIYDBQILRXGQ-PMVMPFDFSA-N 1 3 413.610 3.513 20 0 HHADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327498 982725453 /nfs/dbraw/zinc/72/54/53/982725453.db2.gz XRAIYDBQILRXGQ-PMVMPFDFSA-N 1 3 413.610 3.513 20 0 HHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@](C)(c2ccccc2)C1 ZINC000438482358 982829196 /nfs/dbraw/zinc/82/91/96/982829196.db2.gz YBCVXSSISGOXMZ-RLWLMLJZSA-N 1 3 405.586 3.819 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842788 983110650 /nfs/dbraw/zinc/11/06/50/983110650.db2.gz SVJDIPHVPHNQKO-HYBUGGRVSA-N 1 3 421.589 3.571 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842788 983110654 /nfs/dbraw/zinc/11/06/54/983110654.db2.gz SVJDIPHVPHNQKO-HYBUGGRVSA-N 1 3 421.589 3.571 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861617 983127155 /nfs/dbraw/zinc/12/71/55/983127155.db2.gz JGIOWGYDCUYPCV-CVDCTZTESA-N 1 3 409.578 3.518 20 0 HHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438864273 983129685 /nfs/dbraw/zinc/12/96/85/983129685.db2.gz JOCLGXNKGOIQAE-UGKGYDQZSA-N 1 3 401.599 3.561 20 0 HHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438864273 983129688 /nfs/dbraw/zinc/12/96/88/983129688.db2.gz JOCLGXNKGOIQAE-UGKGYDQZSA-N 1 3 401.599 3.561 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197786 983305830 /nfs/dbraw/zinc/30/58/30/983305830.db2.gz JCHPQPOQWPGDHR-YKSBVNFPSA-N 1 3 421.589 3.743 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000439204556 983309780 /nfs/dbraw/zinc/30/97/80/983309780.db2.gz YOADILMAOSIROY-KQVJYAISSA-N 1 3 413.610 3.513 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756937 983526643 /nfs/dbraw/zinc/52/66/43/983526643.db2.gz MHWIRZRWXYTKCW-UGKGYDQZSA-N 1 3 424.564 3.775 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756937 983526645 /nfs/dbraw/zinc/52/66/45/983526645.db2.gz MHWIRZRWXYTKCW-UGKGYDQZSA-N 1 3 424.564 3.775 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440185195 983674460 /nfs/dbraw/zinc/67/44/60/983674460.db2.gz JLOVRXCEPLEBFF-RDPSFJRHSA-N 1 3 421.589 3.523 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440185195 983674463 /nfs/dbraw/zinc/67/44/63/983674463.db2.gz JLOVRXCEPLEBFF-RDPSFJRHSA-N 1 3 421.589 3.523 20 0 HHADHO c1nc(-c2ccncc2)sc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000440336607 983727401 /nfs/dbraw/zinc/72/74/01/983727401.db2.gz GMVCJJNBAZVVTL-UHFFFAOYSA-N 1 3 407.587 3.897 20 0 HHADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OCc1ccc(F)cc1 ZINC000441354792 984203481 /nfs/dbraw/zinc/20/34/81/984203481.db2.gz IROBNSXJDZDKTM-UHFFFAOYSA-N 1 3 415.553 3.529 20 0 HHADHO CCN1CCN(CCC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000461879631 984904286 /nfs/dbraw/zinc/90/42/86/984904286.db2.gz CIQRQMKOPHIHTL-UHFFFAOYSA-N 1 3 401.545 3.736 20 0 HHADHO Cc1cccc(N2CCN(CCC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)c1 ZINC000461998634 984979569 /nfs/dbraw/zinc/97/95/69/984979569.db2.gz ZYSINJIKAGYYMY-JOCHJYFZSA-N 1 3 422.617 3.753 20 0 HHADHO CC1CC[NH+]([C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)c2ccccc2)CC1 ZINC000467973337 985616337 /nfs/dbraw/zinc/61/63/37/985616337.db2.gz MKJJPNLRCQLTEO-HSZRJFAPSA-N 1 3 413.606 3.611 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714186 985660914 /nfs/dbraw/zinc/66/09/14/985660914.db2.gz DGBZWYRWDSMMQC-QKYMMTCKSA-N 1 3 420.601 3.717 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714186 985660920 /nfs/dbraw/zinc/66/09/20/985660920.db2.gz DGBZWYRWDSMMQC-QKYMMTCKSA-N 1 3 420.601 3.717 20 0 HHADHO CC1CCN(CCC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824453 985748356 /nfs/dbraw/zinc/74/83/56/985748356.db2.gz YPXCXCLKIDAFAK-KNQAVFIVSA-N 1 3 410.599 3.793 20 0 HHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CCN1Cc1ccccc1 ZINC000463070262 986026535 /nfs/dbraw/zinc/02/65/35/986026535.db2.gz SBHZTKHIIIZAGO-RCZVLFRGSA-N 1 3 423.601 3.540 20 0 HHADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1 ZINC000443846773 986050238 /nfs/dbraw/zinc/05/02/38/986050238.db2.gz WPZQPFZVVABCNR-AUSIDOKSSA-N 1 3 424.589 3.583 20 0 HHADHO Cc1nc2ccccc2n1CCCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000463128640 986093544 /nfs/dbraw/zinc/09/35/44/986093544.db2.gz FUADUADLTSSBPH-UHFFFAOYSA-N 1 3 411.638 3.865 20 0 HHADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000444558660 986751358 /nfs/dbraw/zinc/75/13/58/986751358.db2.gz VVMVJEATVFGNGU-UHFFFAOYSA-N 1 3 421.585 3.742 20 0 HHADHO CCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(OCCC)c1 ZINC000469110545 986827473 /nfs/dbraw/zinc/82/74/73/986827473.db2.gz YNTGBVDBCADPIQ-UHFFFAOYSA-N 1 3 417.594 3.553 20 0 HHADHO Cc1c(Cl)cc(F)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1F ZINC000444873113 987026998 /nfs/dbraw/zinc/02/69/98/987026998.db2.gz KYCSOTXOLIRDKF-UHFFFAOYSA-N 1 3 400.901 3.607 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000469759304 987412677 /nfs/dbraw/zinc/41/26/77/987412677.db2.gz XZOSCLLMCVECPY-ZDWTUXFCSA-N 1 3 411.512 3.534 20 0 HHADHO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469764596 987417191 /nfs/dbraw/zinc/41/71/91/987417191.db2.gz OQXIUPKTEAUYOK-NJYVYQBISA-N 1 3 423.601 3.961 20 0 HHADHO CCOCc1ccccc1CNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469787010 987432286 /nfs/dbraw/zinc/43/22/86/987432286.db2.gz MSXYZNRLXOLQPZ-SFTDATJTSA-N 1 3 423.601 3.586 20 0 HHADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[NH+]1CCCCCC1 ZINC000469869180 987507106 /nfs/dbraw/zinc/50/71/06/987507106.db2.gz COOOHTNZUWGDLF-GOSISDBHSA-N 1 3 407.986 3.564 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000470288077 988245952 /nfs/dbraw/zinc/24/59/52/988245952.db2.gz RSUOWORFSLYXLP-DHIUTWEWSA-N 1 3 400.611 3.803 20 0 HHADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326974 988461683 /nfs/dbraw/zinc/46/16/83/988461683.db2.gz YOCVQDCEFHAEMP-UNMCSNQZSA-N 1 3 423.523 3.822 20 0 HHADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326974 988461690 /nfs/dbraw/zinc/46/16/90/988461690.db2.gz YOCVQDCEFHAEMP-UNMCSNQZSA-N 1 3 423.523 3.822 20 0 HHADHO CC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000470721997 988747921 /nfs/dbraw/zinc/74/79/21/988747921.db2.gz FBBGGWJIURTQAL-HYBUGGRVSA-N 1 3 412.622 3.770 20 0 HHADHO CCC1(CC)CN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000464580136 988758397 /nfs/dbraw/zinc/75/83/97/988758397.db2.gz FUKISDMJUMMCHA-IBGZPJMESA-N 1 3 403.636 3.763 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470744483 988783602 /nfs/dbraw/zinc/78/36/02/988783602.db2.gz GYMNJHQBNLPOKB-FUPPJEDESA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470744483 988783605 /nfs/dbraw/zinc/78/36/05/988783605.db2.gz GYMNJHQBNLPOKB-FUPPJEDESA-N 1 3 400.611 3.660 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000470755985 988797271 /nfs/dbraw/zinc/79/72/71/988797271.db2.gz NPLDVYFCJCDDQO-PMACEKPBSA-N 1 3 404.624 3.648 20 0 HHADHO C[C@H]1CCC[C@@](CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713553 989912281 /nfs/dbraw/zinc/91/22/81/989912281.db2.gz FYPCQZDZMFGVRQ-WVLNKYAVSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465611561 989997020 /nfs/dbraw/zinc/99/70/20/989997020.db2.gz VPLDRZOSUHFDOU-YADHBBJMSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000465611561 989997031 /nfs/dbraw/zinc/99/70/31/989997031.db2.gz VPLDRZOSUHFDOU-YADHBBJMSA-N 1 3 400.611 3.947 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720269 990105803 /nfs/dbraw/zinc/10/58/03/990105803.db2.gz OECVPQHJARCGGS-GGAORHGYSA-N 1 3 400.611 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000465720269 990105806 /nfs/dbraw/zinc/10/58/06/990105806.db2.gz OECVPQHJARCGGS-GGAORHGYSA-N 1 3 400.611 3.833 20 0 HHADHO C[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872578 990986225 /nfs/dbraw/zinc/98/62/25/990986225.db2.gz IJXIFDAXZCJOJU-ZJSXRUAMSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872578 990986232 /nfs/dbraw/zinc/98/62/32/990986232.db2.gz IJXIFDAXZCJOJU-ZJSXRUAMSA-N 1 3 408.590 3.670 20 0 HHADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073883 991246877 /nfs/dbraw/zinc/24/68/77/991246877.db2.gz FLFWDCXWNFMOCO-ICSRJNTNSA-N 1 3 406.640 3.894 20 0 HHADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(CCC(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000466073883 991246885 /nfs/dbraw/zinc/24/68/85/991246885.db2.gz FLFWDCXWNFMOCO-ICSRJNTNSA-N 1 3 406.640 3.894 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532433 991832646 /nfs/dbraw/zinc/83/26/46/991832646.db2.gz ITWDBXIRVCAVIE-NQHRYMMQSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532433 991832662 /nfs/dbraw/zinc/83/26/62/991832662.db2.gz ITWDBXIRVCAVIE-NQHRYMMQSA-N 1 3 420.601 3.813 20 0 HHADHO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000467776143 993015887 /nfs/dbraw/zinc/01/58/87/993015887.db2.gz KHIHTRMWQHKJGK-RUZDIDTESA-N 1 3 420.601 3.957 20 0 HHADHO CN1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000472306123 993318460 /nfs/dbraw/zinc/31/84/60/993318460.db2.gz PJDRTUGOZDQTCH-GOTSBHOMSA-N 1 3 424.614 3.845 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728549 993595960 /nfs/dbraw/zinc/59/59/60/993595960.db2.gz QHMHQCHGUOLFBD-VAMGGRTRSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728548 993596243 /nfs/dbraw/zinc/59/62/43/993596243.db2.gz QHMHQCHGUOLFBD-HSALFYBXSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728548 993596251 /nfs/dbraw/zinc/59/62/51/993596251.db2.gz QHMHQCHGUOLFBD-HSALFYBXSA-N 1 3 404.562 3.991 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000480904686 993760410 /nfs/dbraw/zinc/76/04/10/993760410.db2.gz YITSPHCBWNHDQD-DENIHFKCSA-N 1 3 410.562 3.561 20 0 HHADHO Cc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906480 993763061 /nfs/dbraw/zinc/76/30/61/993763061.db2.gz BMDVODFWANFAOQ-HRNNMHKYSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906480 993763069 /nfs/dbraw/zinc/76/30/69/993763069.db2.gz BMDVODFWANFAOQ-HRNNMHKYSA-N 1 3 407.602 3.869 20 0 HHADHO CN1CCN(c2ncccc2C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000481262403 994082907 /nfs/dbraw/zinc/08/29/07/994082907.db2.gz QNIZFHSFUAXENI-IBGZPJMESA-N 1 3 419.342 3.512 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CC(C)(C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000473624904 994505844 /nfs/dbraw/zinc/50/58/44/994505844.db2.gz SEPXVOPLOUWXIN-UHFFFAOYSA-N 1 3 406.014 3.974 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c2)CC1 ZINC000473825539 994754424 /nfs/dbraw/zinc/75/44/24/994754424.db2.gz WYPMKEYBJBOIOV-QHCPKHFHSA-N 1 3 409.578 3.561 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835364 994768516 /nfs/dbraw/zinc/76/85/16/994768516.db2.gz KMBZMZXDVNAMKI-REWPJTCUSA-N 1 3 421.589 3.786 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835364 994768522 /nfs/dbraw/zinc/76/85/22/994768522.db2.gz KMBZMZXDVNAMKI-REWPJTCUSA-N 1 3 421.589 3.786 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)c2)CC1 ZINC000473839421 994774456 /nfs/dbraw/zinc/77/44/56/994774456.db2.gz IPARYJZNVWXBOZ-HXUWFJFHSA-N 1 3 401.599 3.605 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)c2)CC1 ZINC000473839421 994774462 /nfs/dbraw/zinc/77/44/62/994774462.db2.gz IPARYJZNVWXBOZ-HXUWFJFHSA-N 1 3 401.599 3.605 20 0 HHADHO COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102772 995048769 /nfs/dbraw/zinc/04/87/69/995048769.db2.gz LLLRBDQSGORTHW-ISJGIBHGSA-N 1 3 419.569 3.754 20 0 HHADHO COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102772 995048775 /nfs/dbraw/zinc/04/87/75/995048775.db2.gz LLLRBDQSGORTHW-ISJGIBHGSA-N 1 3 419.569 3.754 20 0 HHADHO C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125403 995073776 /nfs/dbraw/zinc/07/37/76/995073776.db2.gz VAPNQTVSAONKKN-GBXCKJPGSA-N 1 3 409.574 3.511 20 0 HHADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000482234588 995217583 /nfs/dbraw/zinc/21/75/83/995217583.db2.gz NIUCXQKDRZMNFM-LJQANCHMSA-N 1 3 402.542 3.891 20 0 HHADHO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474331755 995313549 /nfs/dbraw/zinc/31/35/49/995313549.db2.gz REIHRDRIJQAPGK-DEOSSOPVSA-N 1 3 406.574 3.567 20 0 HHADHO CN(C)Cc1cccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000482388516 995373260 /nfs/dbraw/zinc/37/32/60/995373260.db2.gz PSMGAHBJEHBGSW-UHFFFAOYSA-N 1 3 409.574 3.549 20 0 HHADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000474465936 995428329 /nfs/dbraw/zinc/42/83/29/995428329.db2.gz BAKSSMOTSMQNNH-PMACEKPBSA-N 1 3 411.590 3.733 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436145 995428689 /nfs/dbraw/zinc/42/86/89/995428689.db2.gz IPKNQDIDROLMGE-CTNGQTDRSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436145 995428699 /nfs/dbraw/zinc/42/86/99/995428699.db2.gz IPKNQDIDROLMGE-CTNGQTDRSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482436145 995428712 /nfs/dbraw/zinc/42/87/12/995428712.db2.gz IPKNQDIDROLMGE-CTNGQTDRSA-N 1 3 415.603 3.663 20 0 HHADHO Cc1ccc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000474634334 995580381 /nfs/dbraw/zinc/58/03/81/995580381.db2.gz OWKSKIVAPHGNIW-NRFANRHFSA-N 1 3 410.562 3.674 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643710 995638613 /nfs/dbraw/zinc/63/86/13/995638613.db2.gz QGWQQJPTZHOXKV-WSCWJOSJSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643710 995638619 /nfs/dbraw/zinc/63/86/19/995638619.db2.gz QGWQQJPTZHOXKV-WSCWJOSJSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647417 995641965 /nfs/dbraw/zinc/64/19/65/995641965.db2.gz AYUHKLAAYFGZAI-OXQOHEQNSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC(F)F)c1 ZINC000482647417 995641975 /nfs/dbraw/zinc/64/19/75/995641975.db2.gz AYUHKLAAYFGZAI-OXQOHEQNSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815306 995768509 /nfs/dbraw/zinc/76/85/09/995768509.db2.gz NDFIUNBJVZVHMZ-OXJNMPFZSA-N 1 3 417.500 3.836 20 0 HHADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC(F)F)cc1 ZINC000482815306 995768519 /nfs/dbraw/zinc/76/85/19/995768519.db2.gz NDFIUNBJVZVHMZ-OXJNMPFZSA-N 1 3 417.500 3.836 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878565 995811842 /nfs/dbraw/zinc/81/18/42/995811842.db2.gz UZQAYKPECRAALW-HBFSDRIKSA-N 1 3 424.427 3.754 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000482878565 995811845 /nfs/dbraw/zinc/81/18/45/995811845.db2.gz UZQAYKPECRAALW-HBFSDRIKSA-N 1 3 424.427 3.754 20 0 HHADHO CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475156960 995958962 /nfs/dbraw/zinc/95/89/62/995958962.db2.gz PEDAYGMSBANZQM-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO CCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475156960 995958966 /nfs/dbraw/zinc/95/89/66/995958966.db2.gz PEDAYGMSBANZQM-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO CCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475182374 995978556 /nfs/dbraw/zinc/97/85/56/995978556.db2.gz KDIDBLBZUJRSJU-QHCPKHFHSA-N 1 3 400.611 3.949 20 0 HHADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC000475297068 996052889 /nfs/dbraw/zinc/05/28/89/996052889.db2.gz KNSOFWCRNWBWEQ-RUZDIDTESA-N 1 3 420.601 3.564 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)CC2)CC1 ZINC000483929627 996474230 /nfs/dbraw/zinc/47/42/30/996474230.db2.gz WBOGCLQIQYFLNA-UHFFFAOYSA-N 1 3 418.630 3.616 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624011 997144015 /nfs/dbraw/zinc/14/40/15/997144015.db2.gz HZCOJVPRTFKCRQ-GBXCKJPGSA-N 1 3 424.589 3.652 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624011 997144020 /nfs/dbraw/zinc/14/40/20/997144020.db2.gz HZCOJVPRTFKCRQ-GBXCKJPGSA-N 1 3 424.589 3.652 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000484835926 997201608 /nfs/dbraw/zinc/20/16/08/997201608.db2.gz ISLFBGAIYSGAJI-HSZRJFAPSA-N 1 3 400.611 3.661 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000476871714 997447523 /nfs/dbraw/zinc/44/75/23/997447523.db2.gz FVLCNDSQDJUAPQ-JOCHJYFZSA-N 1 3 400.542 3.770 20 0 HHADHO C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000476906098 997512256 /nfs/dbraw/zinc/51/22/56/997512256.db2.gz MFGDLEMMMPRDEE-RDPSFJRHSA-N 1 3 406.574 3.745 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000476932155 997546648 /nfs/dbraw/zinc/54/66/48/997546648.db2.gz VRJSHUNXBILJAG-QFIPXVFZSA-N 1 3 400.542 3.770 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000485220679 997594789 /nfs/dbraw/zinc/59/47/89/997594789.db2.gz RHLOLPNKESKIKG-DEOSSOPVSA-N 1 3 424.589 3.509 20 0 HHADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775300 998250170 /nfs/dbraw/zinc/25/01/70/998250170.db2.gz RVLROIHZFMYQIO-ZLNRFVROSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775300 998250179 /nfs/dbraw/zinc/25/01/79/998250179.db2.gz RVLROIHZFMYQIO-ZLNRFVROSA-N 1 3 412.622 3.585 20 0 HHADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cc1ccc(F)c(F)c1 ZINC000477941268 998670981 /nfs/dbraw/zinc/67/09/81/998670981.db2.gz RYUAGEBRTXEKTE-VMIIQTFKSA-N 1 3 400.513 3.616 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000478620748 999050022 /nfs/dbraw/zinc/05/00/22/999050022.db2.gz KJQLTKFKSXREOW-NRFANRHFSA-N 1 3 405.627 3.525 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000478620748 999050025 /nfs/dbraw/zinc/05/00/25/999050025.db2.gz KJQLTKFKSXREOW-NRFANRHFSA-N 1 3 405.627 3.525 20 0 HHADHO C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000478728851 999111066 /nfs/dbraw/zinc/11/10/66/999111066.db2.gz YKODZBWJEFXKQF-RDPSFJRHSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000478728852 999111080 /nfs/dbraw/zinc/11/10/80/999111080.db2.gz YKODZBWJEFXKQF-YKSBVNFPSA-N 1 3 406.574 3.745 20 0 HHADHO CC(C)OCCN1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479552953 999474068 /nfs/dbraw/zinc/47/40/68/999474068.db2.gz HVYIFBTZNGGWAT-NRFANRHFSA-N 1 3 422.658 3.562 20 0 HHADHO CC(C)OCCN1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479552953 999474072 /nfs/dbraw/zinc/47/40/72/999474072.db2.gz HVYIFBTZNGGWAT-NRFANRHFSA-N 1 3 422.658 3.562 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCc4sc(Cl)cc43)CC2)CC1 ZINC000488516936 999514731 /nfs/dbraw/zinc/51/47/31/999514731.db2.gz QUNDWHPRDKZJPU-QGZVFWFLSA-N 1 3 411.015 3.637 20 0 HHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616186 999547118 /nfs/dbraw/zinc/54/71/18/999547118.db2.gz VNQOTIZBEQVCCO-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616186 999547120 /nfs/dbraw/zinc/54/71/20/999547120.db2.gz VNQOTIZBEQVCCO-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc2)CC1 ZINC000488868201 999631811 /nfs/dbraw/zinc/63/18/11/999631811.db2.gz ZRELDESEUVFJEY-UHFFFAOYSA-N 1 3 424.589 3.547 20 0 HHADHO Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466826 999805933 /nfs/dbraw/zinc/80/59/33/999805933.db2.gz ZEPOQRKEEJWJQM-OFVILXPXSA-N 1 3 411.590 3.660 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000480604393 999838705 /nfs/dbraw/zinc/83/87/05/999838705.db2.gz BELAAQRMGIHKCL-LEWJYISDSA-N 1 3 421.589 3.590 20 0 HHADHO CC(C)c1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000480671725 999855489 /nfs/dbraw/zinc/85/54/89/999855489.db2.gz FNVSEZUIGGRWIM-IBGZPJMESA-N 1 3 417.619 3.891 20 0 HHADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490940541 1000025966 /nfs/dbraw/zinc/02/59/66/1000025966.db2.gz SXMSURRQBDLKLU-ZCNNSNEGSA-N 1 3 418.651 3.766 20 0 HHADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000490940541 1000025967 /nfs/dbraw/zinc/02/59/67/1000025967.db2.gz SXMSURRQBDLKLU-ZCNNSNEGSA-N 1 3 418.651 3.766 20 0 HHADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000493861258 1000198652 /nfs/dbraw/zinc/19/86/52/1000198652.db2.gz HJVNHBCGQJBQFQ-DBXWQHBBSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000493861258 1000198654 /nfs/dbraw/zinc/19/86/54/1000198654.db2.gz HJVNHBCGQJBQFQ-DBXWQHBBSA-N 1 3 411.512 3.678 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000504737220 1000348417 /nfs/dbraw/zinc/34/84/17/1000348417.db2.gz JJXBNNQLZGIXQT-UHFFFAOYSA-N 1 3 408.590 3.597 20 0 HHADHO CN(CCNC(=O)C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC000494566965 1000557566 /nfs/dbraw/zinc/55/75/66/1000557566.db2.gz XMKASADKIOLLDZ-DEOSSOPVSA-N 1 3 409.549 3.773 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605656 1000931007 /nfs/dbraw/zinc/93/10/07/1000931007.db2.gz HPSHFVTXTCRMHO-GBXCKJPGSA-N 1 3 408.590 3.638 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000505785803 1001022677 /nfs/dbraw/zinc/02/26/77/1001022677.db2.gz WWRUFPFXTJGFLG-IBGZPJMESA-N 1 3 418.582 3.746 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245941 1001304278 /nfs/dbraw/zinc/30/42/78/1001304278.db2.gz CMJAIJDILCSDJW-JOCHJYFZSA-N 1 3 406.574 3.679 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245941 1001304282 /nfs/dbraw/zinc/30/42/82/1001304282.db2.gz CMJAIJDILCSDJW-JOCHJYFZSA-N 1 3 406.574 3.679 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000497611014 1001458176 /nfs/dbraw/zinc/45/81/76/1001458176.db2.gz LFRJWBQZOILHIM-NTKDMRAZSA-N 1 3 424.589 3.823 20 0 HHADHO O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000507513869 1002124678 /nfs/dbraw/zinc/12/46/78/1002124678.db2.gz RTOBICLHCSPRRE-FTBPSBKWSA-N 1 3 424.633 3.993 20 0 HHADHO O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000507513873 1002124890 /nfs/dbraw/zinc/12/48/90/1002124890.db2.gz RTOBICLHCSPRRE-IEZKXTBUSA-N 1 3 424.633 3.993 20 0 HHADHO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499194217 1002583152 /nfs/dbraw/zinc/58/31/52/1002583152.db2.gz QWTHEFDTCCTOFY-FDTGPBLFSA-N 1 3 402.542 3.570 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000508501797 1002983709 /nfs/dbraw/zinc/98/37/09/1002983709.db2.gz FMWYGFLESJRRKI-OAQYLSRUSA-N 1 3 407.549 3.724 20 0 HHADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+](C)C ZINC000508868486 1003288819 /nfs/dbraw/zinc/28/88/19/1003288819.db2.gz FTTNQADKGBHRNJ-WMZHIEFXSA-N 1 3 412.578 3.885 20 0 HHADHO C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000509020027 1003492033 /nfs/dbraw/zinc/49/20/33/1003492033.db2.gz BHIOQPYHARNIQS-ILBGXUMGSA-N 1 3 406.618 3.699 20 0 HHADHO CCCN(C)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030056 1003500930 /nfs/dbraw/zinc/50/09/30/1003500930.db2.gz HHDAYWVVWWSMQI-GHTZIAJQSA-N 1 3 407.002 3.850 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000500422103 1003706853 /nfs/dbraw/zinc/70/68/53/1003706853.db2.gz DOUJDIXDYFRRKF-UHFFFAOYSA-N 1 3 406.530 3.878 20 0 HHADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500421776 1003706906 /nfs/dbraw/zinc/70/69/06/1003706906.db2.gz OPCMNFQZHAODGM-XMMPIXPASA-N 1 3 407.558 3.858 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365702 1003794465 /nfs/dbraw/zinc/79/44/65/1003794465.db2.gz LENNOJJSBSSENX-PXNSSMCTSA-N 1 3 410.587 3.592 20 0 HHADHO Cc1nc2sccn2c(=O)c1CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000509365702 1003794471 /nfs/dbraw/zinc/79/44/71/1003794471.db2.gz LENNOJJSBSSENX-PXNSSMCTSA-N 1 3 410.587 3.592 20 0 HHADHO CC[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000500802264 1003966820 /nfs/dbraw/zinc/96/68/20/1003966820.db2.gz DIWYNUYYFAHVAN-QHCPKHFHSA-N 1 3 400.611 3.587 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000500816561 1003976558 /nfs/dbraw/zinc/97/65/58/1003976558.db2.gz XPHHWXDIYJMZPP-XMMPIXPASA-N 1 3 423.605 3.805 20 0 HHADHO CC(C)[C@@H](CNC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501018118 1004120881 /nfs/dbraw/zinc/12/08/81/1004120881.db2.gz CNWXFEUKDHYAAI-XMMPIXPASA-N 1 3 408.590 3.786 20 0 HHADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235502 1004136000 /nfs/dbraw/zinc/13/60/00/1004136000.db2.gz CJKMBNFCSWWDMT-ZEQKJWHPSA-N 1 3 418.585 3.612 20 0 HHADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235502 1004136005 /nfs/dbraw/zinc/13/60/05/1004136005.db2.gz CJKMBNFCSWWDMT-ZEQKJWHPSA-N 1 3 418.585 3.612 20 0 HHADHO O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271600 1004172711 /nfs/dbraw/zinc/17/27/11/1004172711.db2.gz UWMZRXQSZYVOHY-PXDATVDWSA-N 1 3 405.542 3.506 20 0 HHADHO O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271600 1004172716 /nfs/dbraw/zinc/17/27/16/1004172716.db2.gz UWMZRXQSZYVOHY-PXDATVDWSA-N 1 3 405.542 3.506 20 0 HHADHO Cc1cc(C)c(CCNC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501072559 1004175833 /nfs/dbraw/zinc/17/58/33/1004175833.db2.gz ZMRNHSIDNOBULC-UHFFFAOYSA-N 1 3 408.590 3.514 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000512316189 1004211401 /nfs/dbraw/zinc/21/14/01/1004211401.db2.gz XDKWCZXBEADBAW-RUZDIDTESA-N 1 3 405.586 3.565 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425058 1004291063 /nfs/dbraw/zinc/29/10/63/1004291063.db2.gz WXXHBCGDFXEGHF-IRLDBZIGSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@@H]1C[C@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425058 1004291072 /nfs/dbraw/zinc/29/10/72/1004291072.db2.gz WXXHBCGDFXEGHF-IRLDBZIGSA-N 1 3 400.611 3.803 20 0 HHADHO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000501328677 1004351777 /nfs/dbraw/zinc/35/17/77/1004351777.db2.gz LXCVRYXYPXRSSR-DEOSSOPVSA-N 1 3 408.590 3.597 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143276 1004353843 /nfs/dbraw/zinc/35/38/43/1004353843.db2.gz LQWRWVADUFCGEG-UXHICEINSA-N 1 3 411.384 3.671 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000510143276 1004353850 /nfs/dbraw/zinc/35/38/50/1004353850.db2.gz LQWRWVADUFCGEG-UXHICEINSA-N 1 3 411.384 3.671 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501376572 1004376538 /nfs/dbraw/zinc/37/65/38/1004376538.db2.gz GWUOMOGDXZIKHJ-OFNKIYASSA-N 1 3 400.611 3.777 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501376572 1004376548 /nfs/dbraw/zinc/37/65/48/1004376548.db2.gz GWUOMOGDXZIKHJ-OFNKIYASSA-N 1 3 400.611 3.777 20 0 HHADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501401995 1004394063 /nfs/dbraw/zinc/39/40/63/1004394063.db2.gz GTWPZCPIOAISMM-HARLFGEKSA-N 1 3 412.553 3.638 20 0 HHADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501401995 1004394072 /nfs/dbraw/zinc/39/40/72/1004394072.db2.gz GTWPZCPIOAISMM-HARLFGEKSA-N 1 3 412.553 3.638 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)N2CCCC2)c1 ZINC000501402316 1004394880 /nfs/dbraw/zinc/39/48/80/1004394880.db2.gz YUHPFYIUJZUHFK-XZOQPEGZSA-N 1 3 416.610 3.642 20 0 HHADHO C[NH+]1CCN(Cc2ccc(CNCc3c(F)ccc(Br)c3F)cc2)CC1 ZINC000501426999 1004414269 /nfs/dbraw/zinc/41/42/69/1004414269.db2.gz XBPBZBSAAWMQJZ-UHFFFAOYSA-N 1 3 424.333 3.765 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512713326 1004512448 /nfs/dbraw/zinc/51/24/48/1004512448.db2.gz ZLSWWAIIHBYQOH-OALUTQOASA-N 1 3 402.583 3.538 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713326 1004512456 /nfs/dbraw/zinc/51/24/56/1004512456.db2.gz ZLSWWAIIHBYQOH-OALUTQOASA-N 1 3 402.583 3.538 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000501615708 1004554726 /nfs/dbraw/zinc/55/47/26/1004554726.db2.gz HUDQEZAFHCZZTH-JOCHJYFZSA-N 1 3 424.564 3.808 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000512820770 1004579918 /nfs/dbraw/zinc/57/99/18/1004579918.db2.gz NTNUNYIWNVYTPP-FYYLOGMGSA-N 1 3 416.610 3.736 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000512911766 1004682354 /nfs/dbraw/zinc/68/23/54/1004682354.db2.gz JWTWDSAGJHRKIT-GMAHTHKFSA-N 1 3 416.610 3.736 20 0 HHADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2 ZINC000513164918 1004840822 /nfs/dbraw/zinc/84/08/22/1004840822.db2.gz GOCQRQIXJPMGLL-WCRBZPEASA-N 1 3 405.542 3.803 20 0 HHADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2 ZINC000513164918 1004840824 /nfs/dbraw/zinc/84/08/24/1004840824.db2.gz GOCQRQIXJPMGLL-WCRBZPEASA-N 1 3 405.542 3.803 20 0 HHADHO C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1CCCCCC1 ZINC000510869527 1004901922 /nfs/dbraw/zinc/90/19/22/1004901922.db2.gz YDIGKBBFMVWMLU-IBGZPJMESA-N 1 3 400.567 3.704 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000513397651 1004943114 /nfs/dbraw/zinc/94/31/14/1004943114.db2.gz MTDIWJOTHZXMKC-NHCUHLMSSA-N 1 3 405.533 3.621 20 0 HHADHO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000510942856 1004946341 /nfs/dbraw/zinc/94/63/41/1004946341.db2.gz COFSSEYCCZCXJR-QEGGNFSNSA-N 1 3 417.597 3.720 20 0 HHADHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000513692308 1005084510 /nfs/dbraw/zinc/08/45/10/1005084510.db2.gz YYHAWTVUIDKVHO-WBADGQHESA-N 1 3 407.606 3.997 20 0 HHADHO COc1c(Br)cc(Br)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000513725947 1005098257 /nfs/dbraw/zinc/09/82/57/1005098257.db2.gz UZGMJTPTBLKJLF-UHFFFAOYSA-N 1 3 420.189 3.994 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000502821097 1005232085 /nfs/dbraw/zinc/23/20/85/1005232085.db2.gz DYUMJECBNBWEOO-KXTRFFEISA-N 1 3 412.622 3.945 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000502843697 1005240859 /nfs/dbraw/zinc/24/08/59/1005240859.db2.gz JPRXXRPXNIPTDH-NZQKXSOJSA-N 1 3 416.610 3.786 20 0 HHADHO COc1cccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)N2CCCC2)c1 ZINC000502843697 1005240863 /nfs/dbraw/zinc/24/08/63/1005240863.db2.gz JPRXXRPXNIPTDH-NZQKXSOJSA-N 1 3 416.610 3.786 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000502891971 1005261802 /nfs/dbraw/zinc/26/18/02/1005261802.db2.gz IETZKZVXUPMREF-BGYRXZFFSA-N 1 3 404.599 3.644 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000502891971 1005261805 /nfs/dbraw/zinc/26/18/05/1005261805.db2.gz IETZKZVXUPMREF-BGYRXZFFSA-N 1 3 404.599 3.644 20 0 HHADHO Cc1ccccc1C[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514185039 1005303064 /nfs/dbraw/zinc/30/30/64/1005303064.db2.gz BUTZNGHGDLBPQV-VWLOTQADSA-N 1 3 405.586 3.914 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCN3CCc4ccccc4C3)C2)CC1 ZINC000503398123 1005407901 /nfs/dbraw/zinc/40/79/01/1005407901.db2.gz ZTGAAVJUDHRIIA-QFIPXVFZSA-N 1 3 412.622 3.588 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401706 1005409042 /nfs/dbraw/zinc/40/90/42/1005409042.db2.gz QWDIRBCFTQGISQ-FIXSFTCYSA-N 1 3 412.622 3.975 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC000503402257 1005409330 /nfs/dbraw/zinc/40/93/30/1005409330.db2.gz SPYPVHOJTAMQSM-ZEQRLZLVSA-N 1 3 412.622 3.805 20 0 HHADHO COc1ccccc1Nc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000503453047 1005424818 /nfs/dbraw/zinc/42/48/18/1005424818.db2.gz GYOGZHPISPLAIB-UHFFFAOYSA-N 1 3 422.573 3.727 20 0 HHADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC1 ZINC000504041196 1005539066 /nfs/dbraw/zinc/53/90/66/1005539066.db2.gz ZXMZLMICWQCISZ-FQEVSTJZSA-N 1 3 406.640 3.941 20 0 HHADHO C[C@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000531167327 1006025778 /nfs/dbraw/zinc/02/57/78/1006025778.db2.gz BILHGMVNMHBJPY-JOCHJYFZSA-N 1 3 407.602 3.968 20 0 HHADHO CC(C)Oc1cccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000531405982 1006176991 /nfs/dbraw/zinc/17/69/91/1006176991.db2.gz RUGZIODWVPVFMR-UHFFFAOYSA-N 1 3 423.601 3.934 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)N2CCCC2)cc1 ZINC000531441810 1006198262 /nfs/dbraw/zinc/19/82/62/1006198262.db2.gz CJBLUFGVRDEVGC-XMMPIXPASA-N 1 3 406.574 3.868 20 0 HHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531621024 1006310517 /nfs/dbraw/zinc/31/05/17/1006310517.db2.gz XUSPRESCOHSXHB-PQNGQFLHSA-N 1 3 420.601 3.566 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448941 1006430474 /nfs/dbraw/zinc/43/04/74/1006430474.db2.gz YILIMHZIGDSINC-BJKOFHAPSA-N 1 3 412.622 3.833 20 0 HHADHO Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476573 1006489314 /nfs/dbraw/zinc/48/93/14/1006489314.db2.gz LYZZKUZNROPSAQ-PZJWPPBQSA-N 1 3 410.562 3.720 20 0 HHADHO Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476570 1006489474 /nfs/dbraw/zinc/48/94/74/1006489474.db2.gz LYZZKUZNROPSAQ-CTNGQTDRSA-N 1 3 410.562 3.720 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000534515829 1006511762 /nfs/dbraw/zinc/51/17/62/1006511762.db2.gz XRSGICXMFZGGOM-HSZRJFAPSA-N 1 3 406.574 3.806 20 0 HHADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532103235 1006637293 /nfs/dbraw/zinc/63/72/93/1006637293.db2.gz QERRGZMUKZWTMP-OAQYLSRUSA-N 1 3 414.619 3.726 20 0 HHADHO COc1ccc([C@H](N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388798 1006658097 /nfs/dbraw/zinc/65/80/97/1006658097.db2.gz CHZPQQKFNQBLDH-KBMIEXCESA-N 1 3 421.585 3.905 20 0 HHADHO Cc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c(N2CCOCC2)c1 ZINC000532358795 1006817164 /nfs/dbraw/zinc/81/71/64/1006817164.db2.gz UNYNAROXFADYAD-UHFFFAOYSA-N 1 3 422.617 3.652 20 0 HHADHO C[C@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723850 1007000810 /nfs/dbraw/zinc/00/08/10/1007000810.db2.gz DETVECICVDPUJH-CPJSRVTESA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723850 1007000819 /nfs/dbraw/zinc/00/08/19/1007000819.db2.gz DETVECICVDPUJH-CPJSRVTESA-N 1 3 411.565 3.863 20 0 HHADHO CN(c1ccccc1CN1CCC[C@H](c2noc(C3CC3)n2)C1)C1CC[NH+](C)CC1 ZINC000538760143 1007043817 /nfs/dbraw/zinc/04/38/17/1007043817.db2.gz UQYWAJWDIHRPCY-FQEVSTJZSA-N 1 3 409.578 3.857 20 0 HHADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OCc1ccccc1 ZINC000532628346 1007050353 /nfs/dbraw/zinc/05/03/53/1007050353.db2.gz GWHIQJLGWQBINI-PKTZIBPZSA-N 1 3 410.558 3.742 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2cccnc2-c2ccccc2)(N2CCCCC2)CC1 ZINC000535110198 1007135822 /nfs/dbraw/zinc/13/58/22/1007135822.db2.gz IMKGJIWNUNWXBR-UHFFFAOYSA-N 1 3 407.562 3.820 20 0 HHADHO CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915800 1007200367 /nfs/dbraw/zinc/20/03/67/1007200367.db2.gz XBUAPWJQMXIXAN-XMMPIXPASA-N 1 3 412.622 3.654 20 0 HHADHO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915800 1007200381 /nfs/dbraw/zinc/20/03/81/1007200381.db2.gz XBUAPWJQMXIXAN-XMMPIXPASA-N 1 3 412.622 3.654 20 0 HHADHO Cc1ccccc1CCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945155 1007229324 /nfs/dbraw/zinc/22/93/24/1007229324.db2.gz WDIXCFNZSCOPHQ-NRFANRHFSA-N 1 3 408.590 3.676 20 0 HHADHO CC(C)N1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532948492 1007318645 /nfs/dbraw/zinc/31/86/45/1007318645.db2.gz CZWZZLBGLGYRTO-HNNXBMFYSA-N 1 3 401.624 3.745 20 0 HHADHO CC(C)N1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000532948492 1007318652 /nfs/dbraw/zinc/31/86/52/1007318652.db2.gz CZWZZLBGLGYRTO-HNNXBMFYSA-N 1 3 401.624 3.745 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539065105 1007357539 /nfs/dbraw/zinc/35/75/39/1007357539.db2.gz PCELRPDNFQVVRJ-BULFRSBZSA-N 1 3 402.583 3.635 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539065106 1007357835 /nfs/dbraw/zinc/35/78/35/1007357835.db2.gz PCELRPDNFQVVRJ-HSQYWUDLSA-N 1 3 402.583 3.635 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535366295 1007424186 /nfs/dbraw/zinc/42/41/86/1007424186.db2.gz KBUOICXHIFAPEO-GOUWZUTHSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000535366295 1007424195 /nfs/dbraw/zinc/42/41/95/1007424195.db2.gz KBUOICXHIFAPEO-GOUWZUTHSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1OCc1ccccc1 ZINC000539214397 1007505674 /nfs/dbraw/zinc/50/56/74/1007505674.db2.gz JUGKGUVNASJBOU-JOCHJYFZSA-N 1 3 423.601 3.713 20 0 HHADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(Br)c1OC(F)F ZINC000539248361 1007541559 /nfs/dbraw/zinc/54/15/59/1007541559.db2.gz ULLVDQVHLFUTPR-UHFFFAOYSA-N 1 3 420.342 3.508 20 0 HHADHO CCCC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000517606597 1007809655 /nfs/dbraw/zinc/80/96/55/1007809655.db2.gz DRQRFCUDLPVHEN-NRFANRHFSA-N 1 3 411.512 3.822 20 0 HHADHO Cc1cc(N2CCN(C)CC2)ccc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000535839746 1007850411 /nfs/dbraw/zinc/85/04/11/1007850411.db2.gz KDFIURDGZQSFPN-UHFFFAOYSA-N 1 3 421.633 3.889 20 0 HHADHO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000517668557 1007882648 /nfs/dbraw/zinc/88/26/48/1007882648.db2.gz RMFLFGLVJJQXFS-OAQYLSRUSA-N 1 3 423.601 3.586 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3cccc(C[N@@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103435 /nfs/dbraw/zinc/10/34/35/1008103435.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 1 3 404.562 3.590 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3cccc(C[N@H+]4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103440 /nfs/dbraw/zinc/10/34/40/1008103440.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 1 3 404.562 3.590 20 0 HHADHO Cc1cnn([C@@H]2CC[N@@H+](Cc3cccc(CN4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103446 /nfs/dbraw/zinc/10/34/46/1008103446.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 1 3 404.562 3.590 20 0 HHADHO Cc1cnn([C@@H]2CC[N@H+](Cc3cccc(CN4CC[C@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014526 1008103452 /nfs/dbraw/zinc/10/34/52/1008103452.db2.gz MNOPFRFOHOOKGS-PSWAGMNNSA-N 1 3 404.562 3.590 20 0 HHADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536100532 1008124588 /nfs/dbraw/zinc/12/45/88/1008124588.db2.gz VWNHIRNWKMZRRP-LADGPHEKSA-N 1 3 424.589 3.652 20 0 HHADHO COc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OCc1cccs1 ZINC000539831462 1008124954 /nfs/dbraw/zinc/12/49/54/1008124954.db2.gz GRXORKCKYFHNCZ-UHFFFAOYSA-N 1 3 404.576 3.878 20 0 HHADHO CN1CC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000533893431 1008186959 /nfs/dbraw/zinc/18/69/59/1008186959.db2.gz WMZXCTFGGUXMOZ-FCHUYYIVSA-N 1 3 412.603 3.705 20 0 HHADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160783 1008316429 /nfs/dbraw/zinc/31/64/29/1008316429.db2.gz KYGCSIKEGVXMBJ-BTYIYWSLSA-N 1 3 419.928 3.876 20 0 HHADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000540169081 1008320343 /nfs/dbraw/zinc/32/03/43/1008320343.db2.gz JVEXGFNJXSDNFX-DEOSSOPVSA-N 1 3 407.558 3.688 20 0 HHADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000540170743 1008320763 /nfs/dbraw/zinc/32/07/63/1008320763.db2.gz VJVKMUDQIKJADL-MRXNPFEDSA-N 1 3 400.592 3.690 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000540172776 1008322295 /nfs/dbraw/zinc/32/22/95/1008322295.db2.gz UXTKMEHOKLKASN-RDGATRHJSA-N 1 3 421.585 3.770 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000540184252 1008326515 /nfs/dbraw/zinc/32/65/15/1008326515.db2.gz YMGGGYFWSLLJKZ-AUSIDOKSSA-N 1 3 402.579 3.804 20 0 HHADHO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540248795 1008352568 /nfs/dbraw/zinc/35/25/68/1008352568.db2.gz UJDUFJLVNRYPCN-HSALFYBXSA-N 1 3 413.562 3.993 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612974 1008365478 /nfs/dbraw/zinc/36/54/78/1008365478.db2.gz OBEPLZXDIOUAAE-WOJBJXKFSA-N 1 3 404.624 3.791 20 0 HHADHO CCC(CC)[C@@H](C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461401 1008441008 /nfs/dbraw/zinc/44/10/08/1008441008.db2.gz OOVXGDJLSXWVIN-DHIUTWEWSA-N 1 3 415.622 3.701 20 0 HHADHO COc1cccc(N2CC[C@@H]([NH2+][C@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)c1 ZINC000540474987 1008446072 /nfs/dbraw/zinc/44/60/72/1008446072.db2.gz IYHOZIWKAAERQK-XXBNENTESA-N 1 3 407.558 3.852 20 0 HHADHO COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)c1 ZINC000540474986 1008446207 /nfs/dbraw/zinc/44/62/07/1008446207.db2.gz IYHOZIWKAAERQK-WMZHIEFXSA-N 1 3 407.558 3.852 20 0 HHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362201 1008762313 /nfs/dbraw/zinc/76/23/13/1008762313.db2.gz WHBOSQZRDMDRLE-UPVQGACJSA-N 1 3 409.549 3.819 20 0 HHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362201 1008762329 /nfs/dbraw/zinc/76/23/29/1008762329.db2.gz WHBOSQZRDMDRLE-UPVQGACJSA-N 1 3 409.549 3.819 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000519935698 1009089496 /nfs/dbraw/zinc/08/94/96/1009089496.db2.gz GYAVUYQFIOKNMB-HSZRJFAPSA-N 1 3 400.611 3.895 20 0 HHADHO COc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OCC(C)C ZINC000543618044 1009223521 /nfs/dbraw/zinc/22/35/21/1009223521.db2.gz KAJIATUWRXGKBI-UHFFFAOYSA-N 1 3 403.611 3.580 20 0 HHADHO COc1ccc([C@H](NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C2CC2)cc1 ZINC000549903048 1009523653 /nfs/dbraw/zinc/52/36/53/1009523653.db2.gz CNPYJBTUTGZGLB-AREMUKBSSA-N 1 3 421.585 3.825 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000520406090 1009536650 /nfs/dbraw/zinc/53/66/50/1009536650.db2.gz ZMGJJCSPYSMWTN-PMACEKPBSA-N 1 3 406.590 3.657 20 0 HHADHO Cc1ccccc1[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCC[C@H](C)C1 ZINC000543944957 1009538977 /nfs/dbraw/zinc/53/89/77/1009538977.db2.gz WPBVQOCNWOXTEM-UMXIMWEHSA-N 1 3 401.639 3.842 20 0 HHADHO Cc1ccccc1[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000543944955 1009539074 /nfs/dbraw/zinc/53/90/74/1009539074.db2.gz WPBVQOCNWOXTEM-NMVJMZGASA-N 1 3 401.639 3.842 20 0 HHADHO CC(C)[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1CCCCC1 ZINC000520926087 1009980301 /nfs/dbraw/zinc/98/03/01/1009980301.db2.gz MPLHVWHGLHHWAD-HSZRJFAPSA-N 1 3 414.594 3.950 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000521060835 1010080650 /nfs/dbraw/zinc/08/06/50/1010080650.db2.gz HRCOTDBOSLWJSP-FQEVSTJZSA-N 1 3 418.582 3.798 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000521061070 1010080824 /nfs/dbraw/zinc/08/08/24/1010080824.db2.gz OBXJSJRBJCHWRJ-UHFFFAOYSA-N 1 3 414.516 3.655 20 0 HHADHO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547828486 1010441361 /nfs/dbraw/zinc/44/13/61/1010441361.db2.gz LKSHPDJWVHURAI-ZWSUVBHBSA-N 1 3 411.565 3.699 20 0 HHADHO c1nc([C@@H]2CCCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448176 1010591970 /nfs/dbraw/zinc/59/19/70/1010591970.db2.gz LSCUJMYIMFWMTR-VWNXMTODSA-N 1 3 408.590 3.690 20 0 HHADHO c1nc([C@@H]2CCCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n2c1CCCC2 ZINC000551448176 1010591976 /nfs/dbraw/zinc/59/19/76/1010591976.db2.gz LSCUJMYIMFWMTR-VWNXMTODSA-N 1 3 408.590 3.690 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000522308077 1010921201 /nfs/dbraw/zinc/92/12/01/1010921201.db2.gz XGFPYHPEINCUDD-OAQYLSRUSA-N 1 3 414.619 3.967 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)CC1 ZINC000522692837 1011161506 /nfs/dbraw/zinc/16/15/06/1011161506.db2.gz QIZRXKUBPKYFSB-DEOSSOPVSA-N 1 3 424.564 3.773 20 0 HHADHO CN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231959 1011380781 /nfs/dbraw/zinc/38/07/81/1011380781.db2.gz IWUBAAPWKCYTJR-DNQXCXABSA-N 1 3 406.574 3.738 20 0 HHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523340136 1011818148 /nfs/dbraw/zinc/81/81/48/1011818148.db2.gz HMQKRUOWPCXOSJ-DEOSSOPVSA-N 1 3 408.590 3.664 20 0 HHADHO COCCCOc1cccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000536710902 1011883640 /nfs/dbraw/zinc/88/36/40/1011883640.db2.gz UMSKWCLHYHJLKY-OYRHEFFESA-N 1 3 404.595 3.813 20 0 HHADHO COCCCOc1cccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000536710904 1011884225 /nfs/dbraw/zinc/88/42/25/1011884225.db2.gz UMSKWCLHYHJLKY-SFTDATJTSA-N 1 3 404.595 3.813 20 0 HHADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000536874033 1012115691 /nfs/dbraw/zinc/11/56/91/1012115691.db2.gz BQZNZRKZZWOVPY-KRWDZBQOSA-N 1 3 419.591 3.672 20 0 HHADHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000552255857 1012266446 /nfs/dbraw/zinc/26/64/46/1012266446.db2.gz XNJDYMKQOJNCCU-KMDXXIMOSA-N 1 3 423.580 3.510 20 0 HHADHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)[C@@H]2CCC[C@H]21 ZINC000552255857 1012266472 /nfs/dbraw/zinc/26/64/72/1012266472.db2.gz XNJDYMKQOJNCCU-KMDXXIMOSA-N 1 3 423.580 3.510 20 0 HHADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000552275169 1012289061 /nfs/dbraw/zinc/28/90/61/1012289061.db2.gz NBEJUNJHHFQMIJ-GOSISDBHSA-N 1 3 415.528 3.901 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000541915099 1012773284 /nfs/dbraw/zinc/77/32/84/1012773284.db2.gz XWFBRGLJNOWAJK-MBSDFSHPSA-N 1 3 410.562 3.634 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000541915099 1012773292 /nfs/dbraw/zinc/77/32/92/1012773292.db2.gz XWFBRGLJNOWAJK-MBSDFSHPSA-N 1 3 410.562 3.634 20 0 HHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266287 1071830641 /nfs/dbraw/zinc/83/06/41/1071830641.db2.gz DICARIGBNRFAEE-RPWUZVMVSA-N 1 3 421.585 3.561 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=S)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000760493145 1072398757 /nfs/dbraw/zinc/39/87/57/1072398757.db2.gz YQJPLRFVMOBQOA-UHFFFAOYSA-N 1 3 424.658 3.837 20 0 HHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168378753 1072646951 /nfs/dbraw/zinc/64/69/51/1072646951.db2.gz STTVNJJRQPPFNP-SANMLTNESA-N 1 3 418.585 3.800 20 0 HHADHO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168378753 1072646952 /nfs/dbraw/zinc/64/69/52/1072646952.db2.gz STTVNJJRQPPFNP-SANMLTNESA-N 1 3 418.585 3.800 20 0 HHADHO CNC(=O)N[C@H]1CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2cc(C)ccc21 ZINC001168379623 1072684268 /nfs/dbraw/zinc/68/42/68/1072684268.db2.gz MUWZYTQDJCJCJQ-QHCPKHFHSA-N 1 3 410.606 3.577 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060532 1073535487 /nfs/dbraw/zinc/53/54/87/1073535487.db2.gz IXCFDMNOYMJCJV-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060532 1073535495 /nfs/dbraw/zinc/53/54/95/1073535495.db2.gz IXCFDMNOYMJCJV-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060531 1073535581 /nfs/dbraw/zinc/53/55/81/1073535581.db2.gz IXCFDMNOYMJCJV-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060531 1073535589 /nfs/dbraw/zinc/53/55/89/1073535589.db2.gz IXCFDMNOYMJCJV-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)C[C@H](C)O1 ZINC000590060531 1073535596 /nfs/dbraw/zinc/53/55/96/1073535596.db2.gz IXCFDMNOYMJCJV-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@@H](C)O1 ZINC000590060567 1073535622 /nfs/dbraw/zinc/53/56/22/1073535622.db2.gz RRKGXVUEQVTADZ-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@@H](C)O1 ZINC000590060567 1073535635 /nfs/dbraw/zinc/53/56/35/1073535635.db2.gz RRKGXVUEQVTADZ-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000591076402 1074099233 /nfs/dbraw/zinc/09/92/33/1074099233.db2.gz YFVJDNYTDPBTOK-NRFANRHFSA-N 1 3 409.574 3.802 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000591076402 1074099240 /nfs/dbraw/zinc/09/92/40/1074099240.db2.gz YFVJDNYTDPBTOK-NRFANRHFSA-N 1 3 409.574 3.802 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019580 721802302 /nfs/dbraw/zinc/80/23/02/721802302.db2.gz DCZLQIYYLYKKQC-KSEOMHKRSA-N 1 3 406.578 3.517 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019580 721802304 /nfs/dbraw/zinc/80/23/04/721802304.db2.gz DCZLQIYYLYKKQC-KSEOMHKRSA-N 1 3 406.578 3.517 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020640 721826234 /nfs/dbraw/zinc/82/62/34/721826234.db2.gz CYHRQCLVFOMJBA-TUACAJSNSA-N 1 3 405.590 3.808 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020640 721826235 /nfs/dbraw/zinc/82/62/35/721826235.db2.gz CYHRQCLVFOMJBA-TUACAJSNSA-N 1 3 405.590 3.808 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000301532987 970969300 /nfs/dbraw/zinc/96/93/00/970969300.db2.gz ICLSWYBDEUVPAT-MRXNPFEDSA-N 1 3 404.352 3.773 20 0 HHADHO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000303276680 971593334 /nfs/dbraw/zinc/59/33/34/971593334.db2.gz HRMLKORHNMNDPR-OAHLLOKOSA-N 1 3 412.405 3.847 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@H](C)O1 ZINC000303820070 972051881 /nfs/dbraw/zinc/05/18/81/972051881.db2.gz JVZLYCKTTIWNMH-CALCHBBNSA-N 1 3 418.969 3.754 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(-c4ccccc4C)nn3C)CC2)CC1 ZINC000553499027 1013399652 /nfs/dbraw/zinc/39/96/52/1013399652.db2.gz XLZVAYOQSRBSBR-UHFFFAOYSA-N 1 3 409.578 3.530 20 0 HHADHO C[C@@H](CNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000537845748 1013409536 /nfs/dbraw/zinc/40/95/36/1013409536.db2.gz MQNXDKRPRHHRCB-LEWJYISDSA-N 1 3 408.590 3.928 20 0 HHADHO C[C@H](CCN[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH+]1CCCCC1 ZINC000542464033 1013412026 /nfs/dbraw/zinc/41/20/26/1013412026.db2.gz WDZJLNZLDWUIJU-ZWKOTPCHSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N1CCCCC1 ZINC000542464033 1013412031 /nfs/dbraw/zinc/41/20/31/1013412031.db2.gz WDZJLNZLDWUIJU-ZWKOTPCHSA-N 1 3 400.567 3.606 20 0 HHADHO CC(C)[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000553515321 1013414431 /nfs/dbraw/zinc/41/44/31/1013414431.db2.gz NJMMRGQJXUITQY-QFIPXVFZSA-N 1 3 421.029 3.937 20 0 HHADHO c1csc(-c2n[nH]cc2C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000048745827 964049911 /nfs/dbraw/zinc/04/99/11/964049911.db2.gz AHGSLYOPONNWGH-UHFFFAOYSA-N 1 3 409.603 3.826 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](COC)c3ccc(Cl)cc3)CC2)CC1 ZINC000553575821 1013472653 /nfs/dbraw/zinc/47/26/53/1013472653.db2.gz PKYRGDFLHWSYEQ-JOCHJYFZSA-N 1 3 422.013 3.682 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccco3)Cc3ccccc3)CC2)CC1 ZINC000051759649 964689310 /nfs/dbraw/zinc/68/93/10/964689310.db2.gz DXSQNGZTWDADLM-UHFFFAOYSA-N 1 3 410.562 3.550 20 0 HHADHO CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761108 964689704 /nfs/dbraw/zinc/68/97/04/964689704.db2.gz SIHRUTJKUPYCPM-RPWUZVMVSA-N 1 3 412.622 3.913 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC2)CC1 ZINC000051759896 964690176 /nfs/dbraw/zinc/69/01/76/964690176.db2.gz HICRIKQDAKDZJX-HSZRJFAPSA-N 1 3 416.585 3.915 20 0 HHADHO C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681501 1013542758 /nfs/dbraw/zinc/54/27/58/1013542758.db2.gz PAOLFIPELXHLLD-IFMALSPDSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681501 1013542768 /nfs/dbraw/zinc/54/27/68/1013542768.db2.gz PAOLFIPELXHLLD-IFMALSPDSA-N 1 3 412.578 3.654 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000537969920 1013546819 /nfs/dbraw/zinc/54/68/19/1013546819.db2.gz XTEAHAAFJALPAK-LJQANCHMSA-N 1 3 403.979 3.958 20 0 HHADHO C[N@H+](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CCCC1 ZINC000053436043 965170484 /nfs/dbraw/zinc/17/04/84/965170484.db2.gz IQSJQXBZMFBLKE-UHFFFAOYSA-N 1 3 406.574 3.822 20 0 HHADHO C[N@@H+](CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C1CCCC1 ZINC000053436043 965170491 /nfs/dbraw/zinc/17/04/91/965170491.db2.gz IQSJQXBZMFBLKE-UHFFFAOYSA-N 1 3 406.574 3.822 20 0 HHADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)Cc1ccco1 ZINC000553743454 1013583755 /nfs/dbraw/zinc/58/37/55/1013583755.db2.gz IZNXLABJYBHSAC-HXUWFJFHSA-N 1 3 401.526 3.611 20 0 HHADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)Cc1ccco1 ZINC000553743454 1013583764 /nfs/dbraw/zinc/58/37/64/1013583764.db2.gz IZNXLABJYBHSAC-HXUWFJFHSA-N 1 3 401.526 3.611 20 0 HHADHO Cn1cc(CNCc2cccc(C[NH+](C)C)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000030631269 965749972 /nfs/dbraw/zinc/74/99/72/965749972.db2.gz XTKFXUOYKBYBHO-UHFFFAOYSA-N 1 3 406.530 3.600 20 0 HHADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000542712714 1013625328 /nfs/dbraw/zinc/62/53/28/1013625328.db2.gz MITNESBXMNLKML-NFBKMPQASA-N 1 3 400.611 3.831 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4Br)cc2)CC1 ZINC000538062693 1013639118 /nfs/dbraw/zinc/63/91/18/1013639118.db2.gz UPVOIIYUJYXHGM-JOCHJYFZSA-N 1 3 414.391 3.974 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000061521683 966487881 /nfs/dbraw/zinc/48/78/81/966487881.db2.gz HHAQSUGPQYOTJF-DEOSSOPVSA-N 1 3 406.574 3.746 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000061553325 966499341 /nfs/dbraw/zinc/49/93/41/966499341.db2.gz AZNNSHLZDVODQH-DEOSSOPVSA-N 1 3 406.574 3.746 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000061869002 966568699 /nfs/dbraw/zinc/56/86/99/966568699.db2.gz HLNRTWZFDPZHGT-UHFFFAOYSA-N 1 3 408.590 3.774 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000061869002 966568705 /nfs/dbraw/zinc/56/87/05/966568705.db2.gz HLNRTWZFDPZHGT-UHFFFAOYSA-N 1 3 408.590 3.774 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c(C)c2)CC1 ZINC000062428110 966674464 /nfs/dbraw/zinc/67/44/64/966674464.db2.gz MHZBNCLYWRVNNL-XMMPIXPASA-N 1 3 423.605 3.870 20 0 HHADHO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000063149135 966762126 /nfs/dbraw/zinc/76/21/26/966762126.db2.gz XXMMYTNRWFFWDO-XMMPIXPASA-N 1 3 422.642 3.780 20 0 HHADHO CC(C)CN(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(C)CC1 ZINC000063150755 966763908 /nfs/dbraw/zinc/76/39/08/966763908.db2.gz KQYWBPIUVCEOHO-UHFFFAOYSA-N 1 3 402.652 3.578 20 0 HHADHO CC[C@H](N[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141422 1013702922 /nfs/dbraw/zinc/70/29/22/1013702922.db2.gz MITCBTRRNSJXOT-DVECYGJZSA-N 1 3 409.574 3.905 20 0 HHADHO COc1ccc([C@@H](NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)cc1 ZINC000538143227 1013704518 /nfs/dbraw/zinc/70/45/18/1013704518.db2.gz GXMBBLJWXPQSGA-VWLOTQADSA-N 1 3 409.574 3.894 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542845521 1013704814 /nfs/dbraw/zinc/70/48/14/1013704814.db2.gz AZDGBEVDUDQUDO-IERDGZPVSA-N 1 3 408.571 3.931 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542845521 1013704821 /nfs/dbraw/zinc/70/48/21/1013704821.db2.gz AZDGBEVDUDQUDO-IERDGZPVSA-N 1 3 408.571 3.931 20 0 HHADHO O=C(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226334 1013775712 /nfs/dbraw/zinc/77/57/12/1013775712.db2.gz PQAJTLSASWUTKG-UKILVPOCSA-N 1 3 421.585 3.656 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)cc2)CC1 ZINC000065750157 968624144 /nfs/dbraw/zinc/62/41/44/968624144.db2.gz ZVUDNCWKQBXYNJ-UHFFFAOYSA-N 1 3 422.617 3.987 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cc2)CC1 ZINC000065750157 968624148 /nfs/dbraw/zinc/62/41/48/968624148.db2.gz ZVUDNCWKQBXYNJ-UHFFFAOYSA-N 1 3 422.617 3.987 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065858213 968684385 /nfs/dbraw/zinc/68/43/85/968684385.db2.gz JXFMEGYVEWOWNE-HSZRJFAPSA-N 1 3 409.549 3.950 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000071923255 968890134 /nfs/dbraw/zinc/89/01/34/968890134.db2.gz NORWNGWKGLUMOS-ZCNNSNEGSA-N 1 3 406.640 3.942 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000071923255 968890143 /nfs/dbraw/zinc/89/01/43/968890143.db2.gz NORWNGWKGLUMOS-ZCNNSNEGSA-N 1 3 406.640 3.942 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000110427935 969666802 /nfs/dbraw/zinc/66/68/02/969666802.db2.gz DEBOLQSABKLSAP-IAGOWNOFSA-N 1 3 411.384 3.649 20 0 HHADHO C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981542 970058498 /nfs/dbraw/zinc/05/84/98/970058498.db2.gz AHQZREIXIIZHPG-VGSWGCGISA-N 1 3 414.594 3.636 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)CC2)CC1 ZINC000215995941 970059327 /nfs/dbraw/zinc/05/93/27/970059327.db2.gz HSBLIHWHGCUHFO-UHFFFAOYSA-N 1 3 413.566 3.805 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000228927476 970127892 /nfs/dbraw/zinc/12/78/92/970127892.db2.gz CLMIRBYJPHHPGG-ZRCGQRJVSA-N 1 3 418.622 3.545 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000236838986 970178252 /nfs/dbraw/zinc/17/82/52/970178252.db2.gz XHJBKEQJOLICEP-UHFFFAOYSA-N 1 3 421.564 3.796 20 0 HHADHO CCN1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000236918052 970189184 /nfs/dbraw/zinc/18/91/84/970189184.db2.gz NJHADHRIXOCFJT-UHFFFAOYSA-N 1 3 404.352 3.997 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000236974583 970197845 /nfs/dbraw/zinc/19/78/45/970197845.db2.gz WXGNLYJURBHGDC-SFHVURJKSA-N 1 3 414.981 3.708 20 0 HHADHO CCc1nn(C)c(Cl)c1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000237059182 970215529 /nfs/dbraw/zinc/21/55/29/970215529.db2.gz XXMKNZKADAPWQR-UHFFFAOYSA-N 1 3 404.986 3.797 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000237735805 970350458 /nfs/dbraw/zinc/35/04/58/970350458.db2.gz MLYIFWGNQDQFED-UHFFFAOYSA-N 1 3 421.463 3.701 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000252143651 970554510 /nfs/dbraw/zinc/55/45/10/970554510.db2.gz NORWNGWKGLUMOS-VAMGGRTRSA-N 1 3 406.640 3.942 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000426770014 974647246 /nfs/dbraw/zinc/64/72/46/974647246.db2.gz NXSGZFCTMUPATQ-IRXDYDNUSA-N 1 3 409.521 3.505 20 0 HHADHO C[C@H]1CC[C@H](C)N1CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426775680 974651786 /nfs/dbraw/zinc/65/17/86/974651786.db2.gz UERWOPULXFNWHJ-IRXDYDNUSA-N 1 3 422.411 3.745 20 0 HHADHO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427674021 975233798 /nfs/dbraw/zinc/23/37/98/975233798.db2.gz YRNVGJIQGBTYQN-FUPPJEDESA-N 1 3 418.622 3.761 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000428683705 975975307 /nfs/dbraw/zinc/97/53/07/975975307.db2.gz GDGGXTLBUUTXHH-HUVFLSCGSA-N 1 3 408.590 3.950 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1 ZINC000428683705 975975311 /nfs/dbraw/zinc/97/53/11/975975311.db2.gz GDGGXTLBUUTXHH-HUVFLSCGSA-N 1 3 408.590 3.950 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000428921913 976222179 /nfs/dbraw/zinc/22/21/79/976222179.db2.gz ONFOYINVWIBYKE-FDFHNCONSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000428921913 976222182 /nfs/dbraw/zinc/22/21/82/976222182.db2.gz ONFOYINVWIBYKE-FDFHNCONSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000428933762 976233731 /nfs/dbraw/zinc/23/37/31/976233731.db2.gz VFCMUJAACUYTTP-NHCUHLMSSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000428933762 976233739 /nfs/dbraw/zinc/23/37/39/976233739.db2.gz VFCMUJAACUYTTP-NHCUHLMSSA-N 1 3 422.658 3.562 20 0 HHADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000429490292 976747734 /nfs/dbraw/zinc/74/77/34/976747734.db2.gz LOTFBKHMAZGSLN-REWPJTCUSA-N 1 3 412.622 3.587 20 0 HHADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000429490290 976748336 /nfs/dbraw/zinc/74/83/36/976748336.db2.gz LOTFBKHMAZGSLN-NZQKXSOJSA-N 1 3 412.622 3.587 20 0 HHADHO C[N@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000429686411 976980080 /nfs/dbraw/zinc/98/00/80/976980080.db2.gz ZHEDDDBKLKTPLN-AREMUKBSSA-N 1 3 407.602 3.874 20 0 HHADHO C[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000429686411 976980095 /nfs/dbraw/zinc/98/00/95/976980095.db2.gz ZHEDDDBKLKTPLN-AREMUKBSSA-N 1 3 407.602 3.874 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000431688904 978436659 /nfs/dbraw/zinc/43/66/59/978436659.db2.gz FRATYHAYORYRJH-QDSKXPNFSA-N 1 3 406.574 3.613 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431688904 978436660 /nfs/dbraw/zinc/43/66/60/978436660.db2.gz FRATYHAYORYRJH-QDSKXPNFSA-N 1 3 406.574 3.613 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423082 978805474 /nfs/dbraw/zinc/80/54/74/978805474.db2.gz WQSCWERCBGAWBI-QXCFHYIPSA-N 1 3 411.512 3.847 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423082 978805479 /nfs/dbraw/zinc/80/54/79/978805479.db2.gz WQSCWERCBGAWBI-QXCFHYIPSA-N 1 3 411.512 3.847 20 0 HHADHO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092857 980633163 /nfs/dbraw/zinc/63/31/63/980633163.db2.gz ASYVPUXHCYVGED-IFMALSPDSA-N 1 3 424.593 3.634 20 0 HHADHO Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092857 980633165 /nfs/dbraw/zinc/63/31/65/980633165.db2.gz ASYVPUXHCYVGED-IFMALSPDSA-N 1 3 424.593 3.634 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3c4c(ccc3Cl)CC(C)(C)O4)CC2)CC1 ZINC000435325426 980783921 /nfs/dbraw/zinc/78/39/21/980783921.db2.gz BAWQHCIVXZJPIU-UHFFFAOYSA-N 1 3 420.985 3.734 20 0 HHADHO Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435527372 980921814 /nfs/dbraw/zinc/92/18/14/980921814.db2.gz LRDQCGSZHUOHBL-JOCHJYFZSA-N 1 3 424.593 3.634 20 0 HHADHO Cc1cc(NC(=O)NCC[N@H+](C)C2CCCC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435527372 980921821 /nfs/dbraw/zinc/92/18/21/980921821.db2.gz LRDQCGSZHUOHBL-JOCHJYFZSA-N 1 3 424.593 3.634 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448460553 981793698 /nfs/dbraw/zinc/79/36/98/981793698.db2.gz CTSVCKMCWCSVPX-HSALFYBXSA-N 1 3 406.640 3.893 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448460553 981793705 /nfs/dbraw/zinc/79/37/05/981793705.db2.gz CTSVCKMCWCSVPX-HSALFYBXSA-N 1 3 406.640 3.893 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469705 981809140 /nfs/dbraw/zinc/80/91/40/981809140.db2.gz AZOGSFQUXOJYAV-FYYLOGMGSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000448469705 981809151 /nfs/dbraw/zinc/80/91/51/981809151.db2.gz AZOGSFQUXOJYAV-FYYLOGMGSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473737 981815439 /nfs/dbraw/zinc/81/54/39/981815439.db2.gz SZEASBLMIRMEOI-DHIUTWEWSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473737 981815450 /nfs/dbraw/zinc/81/54/50/981815450.db2.gz SZEASBLMIRMEOI-DHIUTWEWSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000437787955 982356653 /nfs/dbraw/zinc/35/66/53/982356653.db2.gz SHPZVOPZHAKUCY-JJYICEPISA-N 1 3 409.574 3.836 20 0 HHADHO Cc1cccc(OC(F)F)c1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000437948189 982479654 /nfs/dbraw/zinc/47/96/54/982479654.db2.gz QHZDJCACYBYZMW-UHFFFAOYSA-N 1 3 410.509 3.668 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccco1 ZINC000461006859 982720639 /nfs/dbraw/zinc/72/06/39/982720639.db2.gz JLMWMKHTMKGQFW-XXTHSBEZSA-N 1 3 424.589 3.872 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccco1 ZINC000461006859 982720641 /nfs/dbraw/zinc/72/06/41/982720641.db2.gz JLMWMKHTMKGQFW-XXTHSBEZSA-N 1 3 424.589 3.872 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)[NH+](C)C)cc1 ZINC000438861622 983127092 /nfs/dbraw/zinc/12/70/92/983127092.db2.gz JGIOWGYDCUYPCV-WMZHIEFXSA-N 1 3 409.578 3.518 20 0 HHADHO C[NH+](C)CCN(Cc1cccs1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000439174684 983291244 /nfs/dbraw/zinc/29/12/44/983291244.db2.gz YKAZDUCISGSMMY-UHFFFAOYSA-N 1 3 414.619 3.658 20 0 HHADHO C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000439249974 983331666 /nfs/dbraw/zinc/33/16/66/983331666.db2.gz LFZAGWAKQIKREM-SFHVURJKSA-N 1 3 406.621 3.720 20 0 HHADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000462183990 985164734 /nfs/dbraw/zinc/16/47/34/985164734.db2.gz ARCUOTBLXFZTCE-QGZVFWFLSA-N 1 3 422.411 3.619 20 0 HHADHO CN1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1(C)C ZINC000442875448 985254363 /nfs/dbraw/zinc/25/43/63/985254363.db2.gz WADVKKNYYPCLCE-SFHVURJKSA-N 1 3 402.583 3.942 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000463008319 985961178 /nfs/dbraw/zinc/96/11/78/985961178.db2.gz GRMSLWYFZDXLKE-RDPSFJRHSA-N 1 3 408.590 3.800 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463015026 985969353 /nfs/dbraw/zinc/96/93/53/985969353.db2.gz WVCALXBYRHGVMC-IEZKXTBUSA-N 1 3 420.601 3.670 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463015026 985969369 /nfs/dbraw/zinc/96/93/69/985969369.db2.gz WVCALXBYRHGVMC-IEZKXTBUSA-N 1 3 420.601 3.670 20 0 HHADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000443846794 986049962 /nfs/dbraw/zinc/04/99/62/986049962.db2.gz WPZQPFZVVABCNR-CVDCTZTESA-N 1 3 424.589 3.583 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123557 986088390 /nfs/dbraw/zinc/08/83/90/986088390.db2.gz KCFGBCIMJOIXGM-RDPSFJRHSA-N 1 3 405.602 3.559 20 0 HHADHO c1ccc(CCN2CCC([NH2+]C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)cc1 ZINC000463244048 986212066 /nfs/dbraw/zinc/21/20/66/986212066.db2.gz SHQZPCZPKHQNFI-AREMUKBSSA-N 1 3 407.602 3.574 20 0 HHADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000463246876 986214671 /nfs/dbraw/zinc/21/46/71/986214671.db2.gz XRDAJOYBKRMABH-QIRZMJTCSA-N 1 3 419.613 3.655 20 0 HHADHO OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000463246875 986214845 /nfs/dbraw/zinc/21/48/45/986214845.db2.gz XRDAJOYBKRMABH-MNWKKDAASA-N 1 3 419.613 3.655 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909438 986616482 /nfs/dbraw/zinc/61/64/82/986616482.db2.gz KCPVKCIGWHDUKQ-VAMGGRTRSA-N 1 3 413.587 3.753 20 0 HHADHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000468909438 986616486 /nfs/dbraw/zinc/61/64/86/986616486.db2.gz KCPVKCIGWHDUKQ-VAMGGRTRSA-N 1 3 413.587 3.753 20 0 HHADHO C[C@@H](Cn1cc(Br)cn1)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468940567 986645325 /nfs/dbraw/zinc/64/53/25/986645325.db2.gz JEXBZBWXYSQZQI-IRXDYDNUSA-N 1 3 421.383 3.524 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000469158043 986882451 /nfs/dbraw/zinc/88/24/51/986882451.db2.gz ZWWHIVHRWSSYGN-UHFFFAOYSA-N 1 3 409.530 3.755 20 0 HHADHO Cc1ncc(-c2ccccc2)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000444884759 987035368 /nfs/dbraw/zinc/03/53/68/987035368.db2.gz YMIFECVVJPLIQC-UHFFFAOYSA-N 1 3 407.562 3.737 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000469756257 987409143 /nfs/dbraw/zinc/40/91/43/987409143.db2.gz GBHBJCHFDFULLM-WNBHKESASA-N 1 3 405.586 3.926 20 0 HHADHO Cc1cccc(NC(=O)NC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1C ZINC000469775333 987425830 /nfs/dbraw/zinc/42/58/30/987425830.db2.gz KRUQHSAWVHPYRP-OALUTQOASA-N 1 3 422.573 3.698 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)[C@H](C)C1 ZINC000469789604 987434514 /nfs/dbraw/zinc/43/45/14/987434514.db2.gz ZDBMTYHEPHUHSG-HDAAZOAOSA-N 1 3 415.578 3.725 20 0 HHADHO CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470745802 988785745 /nfs/dbraw/zinc/78/57/45/988785745.db2.gz LZVLUUDHABLYKT-VWLOTQADSA-N 1 3 420.601 3.741 20 0 HHADHO CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470745802 988785757 /nfs/dbraw/zinc/78/57/57/988785757.db2.gz LZVLUUDHABLYKT-VWLOTQADSA-N 1 3 420.601 3.741 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3cccc(F)c3)C3CCCC3)CC2)CC1 ZINC000464949896 989244696 /nfs/dbraw/zinc/24/46/96/989244696.db2.gz OWHJIQDGDXCUBM-QHCPKHFHSA-N 1 3 416.585 3.915 20 0 HHADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211044 989560204 /nfs/dbraw/zinc/56/02/04/989560204.db2.gz OAUIXOURIFTMTH-FPOVZHCZSA-N 1 3 411.512 3.535 20 0 HHADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211044 989560207 /nfs/dbraw/zinc/56/02/07/989560207.db2.gz OAUIXOURIFTMTH-FPOVZHCZSA-N 1 3 411.512 3.535 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509103 989707167 /nfs/dbraw/zinc/70/71/67/989707167.db2.gz ZBFKXVUNPNFPNA-NHCUHLMSSA-N 1 3 412.603 3.706 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509103 989707174 /nfs/dbraw/zinc/70/71/74/989707174.db2.gz ZBFKXVUNPNFPNA-NHCUHLMSSA-N 1 3 412.603 3.706 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425252 989769531 /nfs/dbraw/zinc/76/95/31/989769531.db2.gz BETLSWHVHASNNA-UXHICEINSA-N 1 3 406.640 3.894 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000465425252 989769537 /nfs/dbraw/zinc/76/95/37/989769537.db2.gz BETLSWHVHASNNA-UXHICEINSA-N 1 3 406.640 3.894 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000471587061 989790898 /nfs/dbraw/zinc/79/08/98/989790898.db2.gz SGLOGVHVSNEEHV-UHFFFAOYSA-N 1 3 418.548 3.603 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491654 989839469 /nfs/dbraw/zinc/83/94/69/989839469.db2.gz VCKBLSUAHDTAHA-IRLDBZIGSA-N 1 3 404.599 3.594 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491654 989839473 /nfs/dbraw/zinc/83/94/73/989839473.db2.gz VCKBLSUAHDTAHA-IRLDBZIGSA-N 1 3 404.599 3.594 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502879 989852346 /nfs/dbraw/zinc/85/23/46/989852346.db2.gz RVMNAZMMRNDSKI-FUPPJEDESA-N 1 3 416.610 3.735 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502879 989852360 /nfs/dbraw/zinc/85/23/60/989852360.db2.gz RVMNAZMMRNDSKI-FUPPJEDESA-N 1 3 416.610 3.735 20 0 HHADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000465562372 989928907 /nfs/dbraw/zinc/92/89/07/989928907.db2.gz FXKZRBUXTXFQQD-HSZRJFAPSA-N 1 3 404.558 3.571 20 0 HHADHO CC1CCN([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000465711760 990097266 /nfs/dbraw/zinc/09/72/66/990097266.db2.gz GQLACGJOHPVKSC-XZOQPEGZSA-N 1 3 400.611 3.975 20 0 HHADHO CC1CCN([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c2ccccc2)CC1 ZINC000465711760 990097274 /nfs/dbraw/zinc/09/72/74/990097274.db2.gz GQLACGJOHPVKSC-XZOQPEGZSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872574 990986674 /nfs/dbraw/zinc/98/66/74/990986674.db2.gz IJXIFDAXZCJOJU-XUZZJYLKSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872574 990986683 /nfs/dbraw/zinc/98/66/83/990986683.db2.gz IJXIFDAXZCJOJU-XUZZJYLKSA-N 1 3 408.590 3.670 20 0 HHADHO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000472336027 993344450 /nfs/dbraw/zinc/34/44/50/993344450.db2.gz MCICTZYMVBSAEY-GOTSBHOMSA-N 1 3 410.562 3.974 20 0 HHADHO C[C@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728550 993595915 /nfs/dbraw/zinc/59/59/15/993595915.db2.gz QHMHQCHGUOLFBD-ZCNNSNEGSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728550 993595928 /nfs/dbraw/zinc/59/59/28/993595928.db2.gz QHMHQCHGUOLFBD-ZCNNSNEGSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480769015 993633917 /nfs/dbraw/zinc/63/39/17/993633917.db2.gz HSYLNLIRTACIJN-RBUKOAKNSA-N 1 3 419.635 3.823 20 0 HHADHO COc1ccc2ccccc2c1-c1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)on1 ZINC000481135372 993969548 /nfs/dbraw/zinc/96/95/48/993969548.db2.gz DVRMISMOEXUGBI-UHFFFAOYSA-N 1 3 422.573 3.961 20 0 HHADHO C[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000481263126 994082672 /nfs/dbraw/zinc/08/26/72/994082672.db2.gz RXEDDLQBRUUDJE-CQSZACIVSA-N 1 3 407.331 3.586 20 0 HHADHO CN1CCN(c2ncccc2C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000481262404 994082833 /nfs/dbraw/zinc/08/28/33/994082833.db2.gz QNIZFHSFUAXENI-LJQANCHMSA-N 1 3 419.342 3.512 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000473547926 994409835 /nfs/dbraw/zinc/40/98/35/994409835.db2.gz HVKGOHOSKDQJAV-UHFFFAOYSA-N 1 3 412.622 3.744 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819245 994747010 /nfs/dbraw/zinc/74/70/10/994747010.db2.gz FXAQLOCHLZIFNI-NFBKMPQASA-N 1 3 421.589 3.613 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819245 994747024 /nfs/dbraw/zinc/74/70/24/994747024.db2.gz FXAQLOCHLZIFNI-NFBKMPQASA-N 1 3 421.589 3.613 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829626 994761102 /nfs/dbraw/zinc/76/11/02/994761102.db2.gz MEGNZLYUACHFQS-XMMPIXPASA-N 1 3 421.589 3.567 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829626 994761110 /nfs/dbraw/zinc/76/11/10/994761110.db2.gz MEGNZLYUACHFQS-XMMPIXPASA-N 1 3 421.589 3.567 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000473878264 994823873 /nfs/dbraw/zinc/82/38/73/994823873.db2.gz SKARPONZOLAZKC-JDBUVZGPSA-N 1 3 408.590 3.745 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000473878264 994823880 /nfs/dbraw/zinc/82/38/80/994823880.db2.gz SKARPONZOLAZKC-JDBUVZGPSA-N 1 3 408.590 3.745 20 0 HHADHO COC(=O)c1ccc(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000481997915 994898501 /nfs/dbraw/zinc/89/85/01/994898501.db2.gz JHNGFESPFHHYLU-UHFFFAOYSA-N 1 3 412.530 3.810 20 0 HHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482121222 995069693 /nfs/dbraw/zinc/06/96/93/995069693.db2.gz QOUXTZURKLHICX-RDPSFJRHSA-N 1 3 409.574 3.511 20 0 HHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000482240138 995222151 /nfs/dbraw/zinc/22/21/51/995222151.db2.gz OGPZJCUMZLEOIA-HXUWFJFHSA-N 1 3 416.363 3.518 20 0 HHADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343655 995322563 /nfs/dbraw/zinc/32/25/63/995322563.db2.gz LSYWWTVFMGDGIH-SFHVURJKSA-N 1 3 401.576 3.529 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000482343655 995322575 /nfs/dbraw/zinc/32/25/75/995322575.db2.gz LSYWWTVFMGDGIH-SFHVURJKSA-N 1 3 401.576 3.529 20 0 HHADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000474465938 995428309 /nfs/dbraw/zinc/42/83/09/995428309.db2.gz BAKSSMOTSMQNNH-VQTJNVASSA-N 1 3 411.590 3.733 20 0 HHADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798346 995714415 /nfs/dbraw/zinc/71/44/15/995714415.db2.gz KMFMJCVOBXOGMS-SJORKVTESA-N 1 3 421.301 3.935 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833686 995738674 /nfs/dbraw/zinc/73/86/74/995738674.db2.gz SKTJVNDNUHVGPO-OAQYLSRUSA-N 1 3 424.564 3.818 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833686 995738683 /nfs/dbraw/zinc/73/86/83/995738683.db2.gz SKTJVNDNUHVGPO-OAQYLSRUSA-N 1 3 424.564 3.818 20 0 HHADHO CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475012588 995868904 /nfs/dbraw/zinc/86/89/04/995868904.db2.gz IYIILISDXQUODU-RPWUZVMVSA-N 1 3 406.574 3.739 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475138117 995946789 /nfs/dbraw/zinc/94/67/89/995946789.db2.gz MBZHKUCBDXBPPK-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475165242 995965204 /nfs/dbraw/zinc/96/52/04/995965204.db2.gz RBKFCPYAKGNJDD-GOTSBHOMSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475165242 995965210 /nfs/dbraw/zinc/96/52/10/995965210.db2.gz RBKFCPYAKGNJDD-GOTSBHOMSA-N 1 3 400.611 3.660 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)CC1 ZINC000475515260 996194491 /nfs/dbraw/zinc/19/44/91/996194491.db2.gz BAOAONWOJXYFPC-UHFFFAOYSA-N 1 3 407.602 3.707 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487172 996212661 /nfs/dbraw/zinc/21/26/61/996212661.db2.gz AQPUNABPFBMSTO-MZKUHISZSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000483487172 996212670 /nfs/dbraw/zinc/21/26/70/996212670.db2.gz AQPUNABPFBMSTO-MZKUHISZSA-N 1 3 424.585 3.559 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000477314090 998002266 /nfs/dbraw/zinc/00/22/66/998002266.db2.gz LWLROXSZPCKXNO-NOTZXAQLSA-N 1 3 412.622 3.945 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000477314090 998002275 /nfs/dbraw/zinc/00/22/75/998002275.db2.gz LWLROXSZPCKXNO-NOTZXAQLSA-N 1 3 412.622 3.945 20 0 HHADHO Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000486567136 998830403 /nfs/dbraw/zinc/83/04/03/998830403.db2.gz PBFAVNPNZAIKAQ-AVRDEDQJSA-N 1 3 406.530 3.957 20 0 HHADHO CN(C)Cc1ccccc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000486601614 998850985 /nfs/dbraw/zinc/85/09/85/998850985.db2.gz JTOFTHZSRGXKFU-UHFFFAOYSA-N 1 3 409.574 3.549 20 0 HHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C[C@H]3CCSC3)CC2)c1 ZINC000486963318 999019986 /nfs/dbraw/zinc/01/99/86/999019986.db2.gz FQCALQLXPDRHBN-QGZVFWFLSA-N 1 3 401.542 3.950 20 0 HHADHO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000478791385 999142591 /nfs/dbraw/zinc/14/25/91/999142591.db2.gz DJGSAJDEQWJWAT-OFNKIYASSA-N 1 3 424.589 3.604 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802580 999148016 /nfs/dbraw/zinc/14/80/16/999148016.db2.gz SXCTYFWKYOPJFC-UGKGYDQZSA-N 1 3 412.578 3.981 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000478903665 999202914 /nfs/dbraw/zinc/20/29/14/999202914.db2.gz XOWYINBJOGNBGP-BWKNWUBXSA-N 1 3 420.601 3.656 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3CCCc3ccccc3)CC2)CC1 ZINC000487659862 999245409 /nfs/dbraw/zinc/24/54/09/999245409.db2.gz CICCOGQMMMAHMI-XMMPIXPASA-N 1 3 412.622 3.742 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000479063691 999275934 /nfs/dbraw/zinc/27/59/34/999275934.db2.gz PVNBFMFQHBYCHH-RBUKOAKNSA-N 1 3 403.592 3.512 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437263 999416984 /nfs/dbraw/zinc/41/69/84/999416984.db2.gz LRSXEWIUQVLWJF-ISKFKSNPSA-N 1 3 402.542 3.606 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437263 999416986 /nfs/dbraw/zinc/41/69/86/999416986.db2.gz LRSXEWIUQVLWJF-ISKFKSNPSA-N 1 3 402.542 3.606 20 0 HHADHO COc1ccc([C@H](CCn2cncn2)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479444519 999420449 /nfs/dbraw/zinc/42/04/49/999420449.db2.gz IWGQFRLOIUTYRB-QPPBQGQZSA-N 1 3 405.546 3.530 20 0 HHADHO COc1ccc([C@H](CCn2cncn2)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444519 999420454 /nfs/dbraw/zinc/42/04/54/999420454.db2.gz IWGQFRLOIUTYRB-QPPBQGQZSA-N 1 3 405.546 3.530 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616183 999547016 /nfs/dbraw/zinc/54/70/16/999547016.db2.gz VNQOTIZBEQVCCO-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616183 999547020 /nfs/dbraw/zinc/54/70/20/999547020.db2.gz VNQOTIZBEQVCCO-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075195 999710337 /nfs/dbraw/zinc/71/03/37/999710337.db2.gz ZQXPIMOTGGFBKN-BYXVTNLJSA-N 1 3 423.601 3.569 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075195 999710339 /nfs/dbraw/zinc/71/03/39/999710339.db2.gz ZQXPIMOTGGFBKN-BYXVTNLJSA-N 1 3 423.601 3.569 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084138 999712590 /nfs/dbraw/zinc/71/25/90/999712590.db2.gz JBCHWHGXEIDUHI-YNJKOYDBSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084138 999712591 /nfs/dbraw/zinc/71/25/91/999712591.db2.gz JBCHWHGXEIDUHI-YNJKOYDBSA-N 1 3 411.565 3.699 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489774036 999835689 /nfs/dbraw/zinc/83/56/89/999835689.db2.gz GINZFMGATFZCQT-RBUKOAKNSA-N 1 3 414.516 3.651 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256225 999923071 /nfs/dbraw/zinc/92/30/71/999923071.db2.gz XFVWMXDMCTUUSM-OFNKIYASSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000490954897 1000027190 /nfs/dbraw/zinc/02/71/90/1000027190.db2.gz ODRRMVVCACAERE-OALUTQOASA-N 1 3 404.624 3.520 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000490954897 1000027191 /nfs/dbraw/zinc/02/71/91/1000027191.db2.gz ODRRMVVCACAERE-OALUTQOASA-N 1 3 404.624 3.520 20 0 HHADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000491024359 1000035323 /nfs/dbraw/zinc/03/53/23/1000035323.db2.gz XDBQTPSKSWXUNU-TYBLODHISA-N 1 3 420.601 3.958 20 0 HHADHO OCC[NH+]1CCC(CN[C@H](c2ccc(Br)cc2)c2ccccc2F)CC1 ZINC000491032603 1000036784 /nfs/dbraw/zinc/03/67/84/1000036784.db2.gz CFWKXHLYMNOGJN-OAQYLSRUSA-N 1 3 421.354 3.972 20 0 HHADHO OCC[NH+]1CCC(CN[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1 ZINC000491035914 1000037737 /nfs/dbraw/zinc/03/77/37/1000037737.db2.gz KPLHYJYFCBSQTI-NRFANRHFSA-N 1 3 421.354 3.972 20 0 HHADHO OCC[NH+]1CCC(CN[C@H](c2ccccc2)c2cc(Br)ccc2F)CC1 ZINC000491039563 1000038220 /nfs/dbraw/zinc/03/82/20/1000038220.db2.gz RCKVXJDXLUUSJT-OAQYLSRUSA-N 1 3 421.354 3.972 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426255 1000126635 /nfs/dbraw/zinc/12/66/35/1000126635.db2.gz UZDOIIVCVZGAHK-IEZKXTBUSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426255 1000126636 /nfs/dbraw/zinc/12/66/36/1000126636.db2.gz UZDOIIVCVZGAHK-IEZKXTBUSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000492578704 1000133352 /nfs/dbraw/zinc/13/33/52/1000133352.db2.gz IEUVMCREKNTGDZ-SSPYTLHUSA-N 1 3 408.590 3.542 20 0 HHADHO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000492578704 1000133354 /nfs/dbraw/zinc/13/33/54/1000133354.db2.gz IEUVMCREKNTGDZ-SSPYTLHUSA-N 1 3 408.590 3.542 20 0 HHADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000504883675 1000426398 /nfs/dbraw/zinc/42/63/98/1000426398.db2.gz WBTZRJIFCWMAQG-BJKOFHAPSA-N 1 3 406.574 3.787 20 0 HHADHO Cc1cc(Br)cc2c1[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000494592694 1000567310 /nfs/dbraw/zinc/56/73/10/1000567310.db2.gz AFTIXYCIEHSHTO-SFHVURJKSA-N 1 3 404.352 3.870 20 0 HHADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C)c1Br ZINC000494878561 1000709204 /nfs/dbraw/zinc/70/92/04/1000709204.db2.gz MFYSXQNLYJACOV-UHFFFAOYSA-N 1 3 423.399 3.746 20 0 HHADHO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506006805 1001158365 /nfs/dbraw/zinc/15/83/65/1001158365.db2.gz IMGHEVMXCAFYGM-FQEVSTJZSA-N 1 3 401.595 3.961 20 0 HHADHO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000506030085 1001174875 /nfs/dbraw/zinc/17/48/75/1001174875.db2.gz FVJRBASEMKTKBV-SFHVURJKSA-N 1 3 405.608 3.560 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(C(F)F)ccc3Cl)CC2)CC1 ZINC000497182310 1001278781 /nfs/dbraw/zinc/27/87/81/1001278781.db2.gz QXUHVMWPFKYEOG-UHFFFAOYSA-N 1 3 400.901 3.958 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497562296 1001436541 /nfs/dbraw/zinc/43/65/41/1001436541.db2.gz YFPGZAASGRKQJZ-NRFANRHFSA-N 1 3 412.622 3.947 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000506662377 1001486862 /nfs/dbraw/zinc/48/68/62/1001486862.db2.gz MGIDBEDWURAZBF-UHFFFAOYSA-N 1 3 401.558 3.994 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000506662377 1001486864 /nfs/dbraw/zinc/48/68/64/1001486864.db2.gz MGIDBEDWURAZBF-UHFFFAOYSA-N 1 3 401.558 3.994 20 0 HHADHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000497865839 1001542075 /nfs/dbraw/zinc/54/20/75/1001542075.db2.gz BCYFQPIDVYQJGG-QFIPXVFZSA-N 1 3 403.574 3.774 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922912 1001595395 /nfs/dbraw/zinc/59/53/95/1001595395.db2.gz QTKZHQCAZLSBHJ-JRFVFWCSSA-N 1 3 412.622 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000506922912 1001595401 /nfs/dbraw/zinc/59/54/01/1001595401.db2.gz QTKZHQCAZLSBHJ-JRFVFWCSSA-N 1 3 412.622 3.947 20 0 HHADHO CN1CC[C@H]2CCN(C(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000498126618 1001653039 /nfs/dbraw/zinc/65/30/39/1001653039.db2.gz KZOFLSFLAPEVFQ-XUZZJYLKSA-N 1 3 406.574 3.651 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129001 1001653799 /nfs/dbraw/zinc/65/37/99/1001653799.db2.gz XWSNDZCNSOGXDG-VAMGGRTRSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2cccs2)CC1 ZINC000498129001 1001653802 /nfs/dbraw/zinc/65/38/02/1001653802.db2.gz XWSNDZCNSOGXDG-VAMGGRTRSA-N 1 3 404.624 3.647 20 0 HHADHO CC(C)[NH+]1CCC(N(C)CCCOc2cccc(I)c2)CC1 ZINC000507364648 1002025101 /nfs/dbraw/zinc/02/51/01/1002025101.db2.gz WNGGHODQDCKMHC-UHFFFAOYSA-N 1 3 416.347 3.865 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000507457372 1002081957 /nfs/dbraw/zinc/08/19/57/1002081957.db2.gz BHIYBSLPXXPGNY-WSOYEBOPSA-N 1 3 403.570 3.535 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)N1CCc2ccccc21 ZINC000507464069 1002086434 /nfs/dbraw/zinc/08/64/34/1002086434.db2.gz WJDXICYALWVVHJ-RBZQAINGSA-N 1 3 403.570 3.856 20 0 HHADHO O=C(CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)N1CCc2ccccc21 ZINC000507464070 1002086575 /nfs/dbraw/zinc/08/65/75/1002086575.db2.gz WJDXICYALWVVHJ-TZRRMPRUSA-N 1 3 403.570 3.856 20 0 HHADHO Cc1cccc(C)c1OCCN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498827482 1002211761 /nfs/dbraw/zinc/21/17/61/1002211761.db2.gz YPCFUCQJQXWYQX-HSZRJFAPSA-N 1 3 408.590 3.611 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000499104560 1002496720 /nfs/dbraw/zinc/49/67/20/1002496720.db2.gz WYBXKEBBJSQKNG-YSZBQJHXSA-N 1 3 412.553 3.638 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000499104560 1002496724 /nfs/dbraw/zinc/49/67/24/1002496724.db2.gz WYBXKEBBJSQKNG-YSZBQJHXSA-N 1 3 412.553 3.638 20 0 HHADHO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2=O)cc1 ZINC000499216799 1002601040 /nfs/dbraw/zinc/60/10/40/1002601040.db2.gz TVYRKDSNIKWQRW-UCKMRUJXSA-N 1 3 419.569 3.581 20 0 HHADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499236401 1002626860 /nfs/dbraw/zinc/62/68/60/1002626860.db2.gz XRDAJOYBKRMABH-UIPNDDLNSA-N 1 3 419.613 3.655 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508712115 1003151053 /nfs/dbraw/zinc/15/10/53/1003151053.db2.gz BTVJRJDYHWOEBH-GFADGAFCSA-N 1 3 413.512 3.737 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730268 1003170129 /nfs/dbraw/zinc/17/01/29/1003170129.db2.gz OCJQYWRVAWRNRP-SDHOMARFSA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730268 1003170138 /nfs/dbraw/zinc/17/01/38/1003170138.db2.gz OCJQYWRVAWRNRP-SDHOMARFSA-N 1 3 401.558 3.717 20 0 HHADHO C[NH+](C)C1(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCCCC1 ZINC000508770432 1003201715 /nfs/dbraw/zinc/20/17/15/1003201715.db2.gz OYUORAYOLMOYJU-NRFANRHFSA-N 1 3 411.512 3.822 20 0 HHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1)[NH+](C)C ZINC000508870115 1003290913 /nfs/dbraw/zinc/29/09/13/1003290913.db2.gz KQWLJAFLZGJYEH-UGKGYDQZSA-N 1 3 400.567 3.743 20 0 HHADHO CN(C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899234 1003332091 /nfs/dbraw/zinc/33/20/91/1003332091.db2.gz SZNXJERRRNROKK-IFMALSPDSA-N 1 3 419.491 3.860 20 0 HHADHO CN(C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899234 1003332081 /nfs/dbraw/zinc/33/20/81/1003332081.db2.gz SZNXJERRRNROKK-IFMALSPDSA-N 1 3 419.491 3.860 20 0 HHADHO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508906760 1003344574 /nfs/dbraw/zinc/34/45/74/1003344574.db2.gz OGRXFTRCRBDUCR-FUPPJEDESA-N 1 3 400.611 3.831 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000508906766 1003345034 /nfs/dbraw/zinc/34/50/34/1003345034.db2.gz OHENNLFGMQDVDK-SRUXOGRHSA-N 1 3 400.611 3.974 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000508906766 1003344933 /nfs/dbraw/zinc/34/49/33/1003344933.db2.gz OHENNLFGMQDVDK-SRUXOGRHSA-N 1 3 400.611 3.974 20 0 HHADHO Brc1ccc2oc(C[NH+]3CCC(CCCN4CCOCC4)CC3)nc2c1 ZINC000508979976 1003452049 /nfs/dbraw/zinc/45/20/49/1003452049.db2.gz VMTSKLICMNEKPW-UHFFFAOYSA-N 1 3 422.367 3.915 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093261 1003453213 /nfs/dbraw/zinc/45/32/13/1003453213.db2.gz ZCHYVUNWZVHOML-GOSISDBHSA-N 1 3 400.394 3.863 20 0 HHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000500093261 1003453216 /nfs/dbraw/zinc/45/32/16/1003453216.db2.gz ZCHYVUNWZVHOML-GOSISDBHSA-N 1 3 400.394 3.863 20 0 HHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114972 1003476665 /nfs/dbraw/zinc/47/66/65/1003476665.db2.gz YTJPGFJHBREALZ-SKPFHBQLSA-N 1 3 423.605 3.906 20 0 HHADHO CCCN(C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000509021524 1003493701 /nfs/dbraw/zinc/49/37/01/1003493701.db2.gz IEFJVGHUIUZQMA-NRFANRHFSA-N 1 3 407.002 3.993 20 0 HHADHO CCCN(C)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030064 1003500858 /nfs/dbraw/zinc/50/08/58/1003500858.db2.gz HHDAYWVVWWSMQI-WIYYLYMNSA-N 1 3 407.002 3.850 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000500217031 1003557809 /nfs/dbraw/zinc/55/78/09/1003557809.db2.gz HNJOFUJFPOHNCF-IRXDYDNUSA-N 1 3 400.485 3.905 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N[C@H](CN(C)C)c3ccc(F)cc3)CC2)CC1 ZINC000500608551 1003825163 /nfs/dbraw/zinc/82/51/63/1003825163.db2.gz NBGYFVQVLIXLDT-LZBANZJXSA-N 1 3 404.574 3.771 20 0 HHADHO Cc1cc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)sc1Br ZINC000511990080 1003938916 /nfs/dbraw/zinc/93/89/16/1003938916.db2.gz NNSIWUFIXNLNAB-CQSZACIVSA-N 1 3 424.408 3.961 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594408 1003968354 /nfs/dbraw/zinc/96/83/54/1003968354.db2.gz FDGJDCUMBYRMJH-NNWRFLSQSA-N 1 3 412.578 3.872 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509594408 1003968360 /nfs/dbraw/zinc/96/83/60/1003968360.db2.gz FDGJDCUMBYRMJH-NNWRFLSQSA-N 1 3 412.578 3.872 20 0 HHADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000500813205 1003974335 /nfs/dbraw/zinc/97/43/35/1003974335.db2.gz FLZOYJNBZJENCM-UHFFFAOYSA-N 1 3 423.601 3.614 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000500835344 1003990671 /nfs/dbraw/zinc/99/06/71/1003990671.db2.gz UNEJNKQOYUKAPU-QHCPKHFHSA-N 1 3 421.589 3.604 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512184193 1004085812 /nfs/dbraw/zinc/08/58/12/1004085812.db2.gz XHLWCNUZEUASNU-QZTJIDSGSA-N 1 3 414.569 3.949 20 0 HHADHO CC(C)[C@@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501074367 1004177750 /nfs/dbraw/zinc/17/77/50/1004177750.db2.gz HDOYLBAXYMKFKJ-XMMPIXPASA-N 1 3 412.553 3.882 20 0 HHADHO CC(C)[C@@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000501187370 1004264530 /nfs/dbraw/zinc/26/45/30/1004264530.db2.gz MHAJFYUVSITZFT-JOCHJYFZSA-N 1 3 404.599 3.642 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)N2CCCC2)cc1 ZINC000501325937 1004350032 /nfs/dbraw/zinc/35/00/32/1004350032.db2.gz HCQOSFZWWUGVBU-DHIUTWEWSA-N 1 3 416.610 3.642 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)N2CCCC2)cc1 ZINC000501325939 1004350071 /nfs/dbraw/zinc/35/00/71/1004350071.db2.gz HCQOSFZWWUGVBU-PKTZIBPZSA-N 1 3 416.610 3.642 20 0 HHADHO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000501328679 1004351554 /nfs/dbraw/zinc/35/15/54/1004351554.db2.gz LXCVRYXYPXRSSR-XMMPIXPASA-N 1 3 408.590 3.597 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501363433 1004368599 /nfs/dbraw/zinc/36/85/99/1004368599.db2.gz OYYQOQXUWOFVGB-KZTDQWPFSA-N 1 3 408.590 3.888 20 0 HHADHO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000501363433 1004368604 /nfs/dbraw/zinc/36/86/04/1004368604.db2.gz OYYQOQXUWOFVGB-KZTDQWPFSA-N 1 3 408.590 3.888 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501376570 1004376144 /nfs/dbraw/zinc/37/61/44/1004376144.db2.gz GWUOMOGDXZIKHJ-NFBKMPQASA-N 1 3 400.611 3.777 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)N1CCc2ccccc2C1 ZINC000501376570 1004376158 /nfs/dbraw/zinc/37/61/58/1004376158.db2.gz GWUOMOGDXZIKHJ-NFBKMPQASA-N 1 3 400.611 3.777 20 0 HHADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501401999 1004393881 /nfs/dbraw/zinc/39/38/81/1004393881.db2.gz GTWPZCPIOAISMM-QTGUNEKASA-N 1 3 412.553 3.638 20 0 HHADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501401999 1004393889 /nfs/dbraw/zinc/39/38/89/1004393889.db2.gz GTWPZCPIOAISMM-QTGUNEKASA-N 1 3 412.553 3.638 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621627 1004435437 /nfs/dbraw/zinc/43/54/37/1004435437.db2.gz ZXMBMPZFAXLRMX-KJXAQDMKSA-N 1 3 411.977 3.960 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621627 1004435444 /nfs/dbraw/zinc/43/54/44/1004435444.db2.gz ZXMBMPZFAXLRMX-KJXAQDMKSA-N 1 3 411.977 3.960 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632348 1004444450 /nfs/dbraw/zinc/44/44/50/1004444450.db2.gz ZKYVQZCEJDHNRV-ICDZXHCJSA-N 1 3 421.585 3.592 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632348 1004444461 /nfs/dbraw/zinc/44/44/61/1004444461.db2.gz ZKYVQZCEJDHNRV-ICDZXHCJSA-N 1 3 421.585 3.592 20 0 HHADHO c1ncn(Cc2ccc(CN[C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646766 1004457914 /nfs/dbraw/zinc/45/79/14/1004457914.db2.gz CYLLCBQCUGMHRY-SDHOMARFSA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccc(CN[C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)n1 ZINC000512646766 1004457922 /nfs/dbraw/zinc/45/79/22/1004457922.db2.gz CYLLCBQCUGMHRY-SDHOMARFSA-N 1 3 401.558 3.717 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648999 1004459998 /nfs/dbraw/zinc/45/99/98/1004459998.db2.gz PXGXUMGCMRXXMB-NQHRYMMQSA-N 1 3 407.558 3.914 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648999 1004460003 /nfs/dbraw/zinc/46/00/03/1004460003.db2.gz PXGXUMGCMRXXMB-NQHRYMMQSA-N 1 3 407.558 3.914 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648994 1004460071 /nfs/dbraw/zinc/46/00/71/1004460071.db2.gz PXGXUMGCMRXXMB-FTBPSBKWSA-N 1 3 407.558 3.914 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512648994 1004460076 /nfs/dbraw/zinc/46/00/76/1004460076.db2.gz PXGXUMGCMRXXMB-FTBPSBKWSA-N 1 3 407.558 3.914 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3ccccc3C[NH+](CC)CC)cc2)CC1 ZINC000510349922 1004500160 /nfs/dbraw/zinc/50/01/60/1004500160.db2.gz YTLOTPABRFIEAH-UHFFFAOYSA-N 1 3 408.590 3.600 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@@H]1C ZINC000512800965 1004567003 /nfs/dbraw/zinc/56/70/03/1004567003.db2.gz BTKPRNKNLZFQSG-RCZSKKKRSA-N 1 3 404.599 3.591 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@@H]1C ZINC000512800965 1004567010 /nfs/dbraw/zinc/56/70/10/1004567010.db2.gz BTKPRNKNLZFQSG-RCZSKKKRSA-N 1 3 404.599 3.591 20 0 HHADHO CCOc1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc(Br)c1O ZINC000512823334 1004582977 /nfs/dbraw/zinc/58/29/77/1004582977.db2.gz VFHKYWNWDVAUSH-UHFFFAOYSA-N 1 3 423.351 3.784 20 0 HHADHO CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501534 1004622133 /nfs/dbraw/zinc/62/21/33/1004622133.db2.gz MGVGQQNGPGGRMV-KJXAQDMKSA-N 1 3 412.622 3.776 20 0 HHADHO CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N1CCc2ccccc2C1 ZINC000510501534 1004622138 /nfs/dbraw/zinc/62/21/38/1004622138.db2.gz MGVGQQNGPGGRMV-KJXAQDMKSA-N 1 3 412.622 3.776 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000512902218 1004670854 /nfs/dbraw/zinc/67/08/54/1004670854.db2.gz MXZGZKNUZURFDL-QHCPKHFHSA-N 1 3 416.610 3.736 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)N(C)C)cc1 ZINC000512902218 1004670859 /nfs/dbraw/zinc/67/08/59/1004670859.db2.gz MXZGZKNUZURFDL-QHCPKHFHSA-N 1 3 416.610 3.736 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC000510552044 1004689764 /nfs/dbraw/zinc/68/97/64/1004689764.db2.gz VEIGZQZWRGCADX-YKSBVNFPSA-N 1 3 408.590 3.558 20 0 HHADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793317 1004736458 /nfs/dbraw/zinc/73/64/58/1004736458.db2.gz VJFSJHFMJYJWMS-RRVLBIQBSA-N 1 3 419.654 3.530 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000501793317 1004736461 /nfs/dbraw/zinc/73/64/61/1004736461.db2.gz VJFSJHFMJYJWMS-RRVLBIQBSA-N 1 3 419.654 3.530 20 0 HHADHO CCN1CCN(Cc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000511146706 1005044823 /nfs/dbraw/zinc/04/48/23/1005044823.db2.gz PQMYFOPVWCUFNK-UHFFFAOYSA-N 1 3 420.601 3.675 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232956 1005084334 /nfs/dbraw/zinc/08/43/34/1005084334.db2.gz XBHDZXPFOXXHAW-SESVDKBCSA-N 1 3 401.570 3.807 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232956 1005084342 /nfs/dbraw/zinc/08/43/42/1005084342.db2.gz XBHDZXPFOXXHAW-SESVDKBCSA-N 1 3 401.570 3.807 20 0 HHADHO CN1CCO[C@@H]([C@@H](NCc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366875 1005141416 /nfs/dbraw/zinc/14/14/16/1005141416.db2.gz LBZVAZDAOMCIJK-YADHBBJMSA-N 1 3 405.945 3.702 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000511505720 1005204447 /nfs/dbraw/zinc/20/44/47/1005204447.db2.gz FCLFKLVIRXNGPQ-SFTDATJTSA-N 1 3 405.533 3.621 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000502878028 1005255429 /nfs/dbraw/zinc/25/54/29/1005255429.db2.gz UIONLMWZPCTDOR-VXKWHMMOSA-N 1 3 400.611 3.662 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000514092713 1005262023 /nfs/dbraw/zinc/26/20/23/1005262023.db2.gz GHPVXSJBUBYOOB-UHFFFAOYSA-N 1 3 401.595 3.772 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)N(C)C)cc1 ZINC000503339509 1005393502 /nfs/dbraw/zinc/39/35/02/1005393502.db2.gz FZYRYYPIZFNEMY-GMAHTHKFSA-N 1 3 400.611 3.751 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1)Cc1ccccc1 ZINC000531167330 1006025661 /nfs/dbraw/zinc/02/56/61/1006025661.db2.gz OBOFQMWMALPWQY-UHFFFAOYSA-N 1 3 416.569 3.695 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000531738800 1006390243 /nfs/dbraw/zinc/39/02/43/1006390243.db2.gz WNOCRKKEVCPRMT-QGZVFWFLSA-N 1 3 403.567 3.808 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910808 1006514794 /nfs/dbraw/zinc/51/47/94/1006514794.db2.gz AQOLCXOXPYBZSX-HXUWFJFHSA-N 1 3 422.960 3.875 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910808 1006514803 /nfs/dbraw/zinc/51/48/03/1006514803.db2.gz AQOLCXOXPYBZSX-HXUWFJFHSA-N 1 3 422.960 3.875 20 0 HHADHO CN1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000534720394 1006706881 /nfs/dbraw/zinc/70/68/81/1006706881.db2.gz ADVJBVANPOEKQQ-DNQXCXABSA-N 1 3 406.574 3.738 20 0 HHADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCCCN3CCN(C)CC3)s2)cc1 ZINC000532195221 1006713091 /nfs/dbraw/zinc/71/30/91/1006713091.db2.gz QBCLLDUWSPSNJO-QGZVFWFLSA-N 1 3 402.608 3.805 20 0 HHADHO COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532225488 1006733006 /nfs/dbraw/zinc/73/30/06/1006733006.db2.gz XXNKJCKHMKENPH-XUZZJYLKSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532225488 1006733017 /nfs/dbraw/zinc/73/30/17/1006733017.db2.gz XXNKJCKHMKENPH-XUZZJYLKSA-N 1 3 407.558 3.560 20 0 HHADHO C[C@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000538724319 1007001565 /nfs/dbraw/zinc/00/15/65/1007001565.db2.gz DPRIXBFTKQZLAU-UWJYYQICSA-N 1 3 403.517 3.899 20 0 HHADHO C[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000538724319 1007001575 /nfs/dbraw/zinc/00/15/75/1007001575.db2.gz DPRIXBFTKQZLAU-UWJYYQICSA-N 1 3 403.517 3.899 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000538734957 1007016847 /nfs/dbraw/zinc/01/68/47/1007016847.db2.gz OPTWPMVHUXPZRA-YVMONPNESA-N 1 3 409.549 3.799 20 0 HHADHO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000538980391 1007273664 /nfs/dbraw/zinc/27/36/64/1007273664.db2.gz OTUICPGOVBZPCK-XMMPIXPASA-N 1 3 421.589 3.604 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058976 1007352807 /nfs/dbraw/zinc/35/28/07/1007352807.db2.gz BABDVQJLRMRJEZ-VSUDMRMVSA-N 1 3 417.500 3.528 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000539073095 1007364336 /nfs/dbraw/zinc/36/43/36/1007364336.db2.gz HXKPTDGYBZWDGT-VAMGGRTRSA-N 1 3 400.567 3.539 20 0 HHADHO COc1cccc(OC)c1OCCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517429518 1007651921 /nfs/dbraw/zinc/65/19/21/1007651921.db2.gz VIYXCWMMZPZBHP-SZPZYZBQSA-N 1 3 410.558 3.927 20 0 HHADHO COc1cccc(OC)c1OCCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000517429518 1007651933 /nfs/dbraw/zinc/65/19/33/1007651933.db2.gz VIYXCWMMZPZBHP-SZPZYZBQSA-N 1 3 410.558 3.927 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000517438592 1007660760 /nfs/dbraw/zinc/66/07/60/1007660760.db2.gz GDPKJIMQVIMJRD-ABAIWWIYSA-N 1 3 420.189 3.992 20 0 HHADHO COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000517438592 1007660764 /nfs/dbraw/zinc/66/07/64/1007660764.db2.gz GDPKJIMQVIMJRD-ABAIWWIYSA-N 1 3 420.189 3.992 20 0 HHADHO CCN1CCN(c2ccc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc2)CC1 ZINC000535821553 1007834715 /nfs/dbraw/zinc/83/47/15/1007834715.db2.gz NWWZZZGGNWAAKJ-UHFFFAOYSA-N 1 3 406.574 3.719 20 0 HHADHO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000517668555 1007882045 /nfs/dbraw/zinc/88/20/45/1007882045.db2.gz RMFLFGLVJJQXFS-NRFANRHFSA-N 1 3 423.601 3.586 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945943 1007978680 /nfs/dbraw/zinc/97/86/80/1007978680.db2.gz YRDIOCBJSANDHT-RTWAWAEBSA-N 1 3 418.651 3.894 20 0 HHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708187 1008026778 /nfs/dbraw/zinc/02/67/78/1008026778.db2.gz BVLHSOXOIGSLBR-UGKGYDQZSA-N 1 3 419.573 3.685 20 0 HHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708187 1008026795 /nfs/dbraw/zinc/02/67/95/1008026795.db2.gz BVLHSOXOIGSLBR-UGKGYDQZSA-N 1 3 419.573 3.685 20 0 HHADHO C[NH+]1CCN(c2cccc(Cl)c2CNCc2cccc(Cn3ccnc3)c2)CC1 ZINC000539954953 1008204194 /nfs/dbraw/zinc/20/41/94/1008204194.db2.gz IHVXHAXWTWOLLL-UHFFFAOYSA-N 1 3 409.965 3.626 20 0 HHADHO CCN1CC[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518222435 1008211127 /nfs/dbraw/zinc/21/11/27/1008211127.db2.gz RKKYNRSBWIBDPW-YADHBBJMSA-N 1 3 411.009 3.620 20 0 HHADHO CCN1CC[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518222430 1008211565 /nfs/dbraw/zinc/21/15/65/1008211565.db2.gz RKKYNRSBWIBDPW-FCHUYYIVSA-N 1 3 411.009 3.620 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000540045936 1008255047 /nfs/dbraw/zinc/25/50/47/1008255047.db2.gz UFRQEVUSOTZEPR-UHFFFAOYSA-N 1 3 406.574 3.811 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520022 1008335812 /nfs/dbraw/zinc/33/58/12/1008335812.db2.gz QDBTWKCVMRRFFE-QUCCMNQESA-N 1 3 404.624 3.837 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520022 1008335814 /nfs/dbraw/zinc/33/58/14/1008335814.db2.gz QDBTWKCVMRRFFE-QUCCMNQESA-N 1 3 404.624 3.837 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540302826 1008373272 /nfs/dbraw/zinc/37/32/72/1008373272.db2.gz UKTKUSSPOMULFV-SFHVURJKSA-N 1 3 401.576 3.561 20 0 HHADHO COc1cccc(N2CC[C@H]([NH2+][C@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)c1 ZINC000540474985 1008446293 /nfs/dbraw/zinc/44/62/93/1008446293.db2.gz IYHOZIWKAAERQK-CVDCTZTESA-N 1 3 407.558 3.852 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3)CC1)c1ccccc1O2 ZINC000540496217 1008455359 /nfs/dbraw/zinc/45/53/59/1008455359.db2.gz YLGWODCEHNOHRW-HSZRJFAPSA-N 1 3 419.569 3.869 20 0 HHADHO COc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(-c2ccccc2)cc1OC ZINC000519721554 1008976787 /nfs/dbraw/zinc/97/67/87/1008976787.db2.gz HWJDANXPKXCWSF-UHFFFAOYSA-N 1 3 411.590 3.829 20 0 HHADHO COc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(-c2ccccc2)cc1OC ZINC000519721554 1008976798 /nfs/dbraw/zinc/97/67/98/1008976798.db2.gz HWJDANXPKXCWSF-UHFFFAOYSA-N 1 3 411.590 3.829 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC(=O)Nc3ccccc32)cc1OC ZINC000543410258 1009004527 /nfs/dbraw/zinc/00/45/27/1009004527.db2.gz CITUMBCYNQRQLO-FQEVSTJZSA-N 1 3 411.546 3.979 20 0 HHADHO C/C=C/c1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463361 1009050394 /nfs/dbraw/zinc/05/03/94/1009050394.db2.gz KUBWUUJQIOGSQW-DHCWPECDSA-N 1 3 402.579 3.711 20 0 HHADHO C/C=C/c1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463361 1009050413 /nfs/dbraw/zinc/05/04/13/1009050413.db2.gz KUBWUUJQIOGSQW-DHCWPECDSA-N 1 3 402.579 3.711 20 0 HHADHO CSc1ccc(CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000520297184 1009421005 /nfs/dbraw/zinc/42/10/05/1009421005.db2.gz MWYDUONTWBFFGO-UHFFFAOYSA-N 1 3 417.644 3.930 20 0 HHADHO CSc1ccc(CN2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000520297184 1009421018 /nfs/dbraw/zinc/42/10/18/1009421018.db2.gz MWYDUONTWBFFGO-UHFFFAOYSA-N 1 3 417.644 3.930 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000544002973 1009604296 /nfs/dbraw/zinc/60/42/96/1009604296.db2.gz SRRVFVKPBYCZDB-QAPCUYQASA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000544002973 1009604306 /nfs/dbraw/zinc/60/43/06/1009604306.db2.gz SRRVFVKPBYCZDB-QAPCUYQASA-N 1 3 423.623 3.969 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000544002973 1009604311 /nfs/dbraw/zinc/60/43/11/1009604311.db2.gz SRRVFVKPBYCZDB-QAPCUYQASA-N 1 3 423.623 3.969 20 0 HHADHO CC(C)[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1CCCCC1 ZINC000520926088 1009979686 /nfs/dbraw/zinc/97/96/86/1009979686.db2.gz MPLHVWHGLHHWAD-QHCPKHFHSA-N 1 3 414.594 3.950 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCc3sc(Br)cc32)C1 ZINC000550785195 1010174190 /nfs/dbraw/zinc/17/41/90/1010174190.db2.gz PPLSFDUXZZWWMU-WBVHZDCISA-N 1 3 407.377 3.854 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCc3sc(Br)cc32)C1 ZINC000550785195 1010174198 /nfs/dbraw/zinc/17/41/98/1010174198.db2.gz PPLSFDUXZZWWMU-WBVHZDCISA-N 1 3 407.377 3.854 20 0 HHADHO C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511428 1010334598 /nfs/dbraw/zinc/33/45/98/1010334598.db2.gz FUJKBGHDXLUKQY-ACIOBRDBSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@H](NC[C@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511428 1010334612 /nfs/dbraw/zinc/33/46/12/1010334612.db2.gz FUJKBGHDXLUKQY-ACIOBRDBSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483576 1010641685 /nfs/dbraw/zinc/64/16/85/1010641685.db2.gz NTVDOZVBVNGJNH-LDQXTDLNSA-N 1 3 403.364 3.983 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCSc4ccc(Cl)cc43)CC2)CC1 ZINC000522114705 1010819697 /nfs/dbraw/zinc/81/96/97/1010819697.db2.gz QKXQUORXJGBRRQ-IBGZPJMESA-N 1 3 423.026 3.735 20 0 HHADHO CC(C)N(Cc1cccc(Cl)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522408461 1010988589 /nfs/dbraw/zinc/98/85/89/1010988589.db2.gz FMLMOXRPRCRKDT-UHFFFAOYSA-N 1 3 407.002 3.819 20 0 HHADHO C[C@H](NC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000540766482 1011421418 /nfs/dbraw/zinc/42/14/18/1011421418.db2.gz VMISEAGWHPJSMI-IBGZPJMESA-N 1 3 415.603 3.647 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000523219410 1011707917 /nfs/dbraw/zinc/70/79/17/1011707917.db2.gz XIWXWZZKPFIHLN-RPWUZVMVSA-N 1 3 423.605 3.689 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000523219410 1011707931 /nfs/dbraw/zinc/70/79/31/1011707931.db2.gz XIWXWZZKPFIHLN-RPWUZVMVSA-N 1 3 423.605 3.689 20 0 HHADHO CN(C)[C@@H](CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000536593492 1011756333 /nfs/dbraw/zinc/75/63/33/1011756333.db2.gz MMUNKSREBYGZBS-QHCPKHFHSA-N 1 3 409.578 3.632 20 0 HHADHO c1cn2c(cccc2C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)n1 ZINC000536706611 1011877065 /nfs/dbraw/zinc/87/70/65/1011877065.db2.gz WEGSZXFEAXYZNI-UHFFFAOYSA-N 1 3 411.553 3.946 20 0 HHADHO Cc1ccc([C@H]2CCCCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000523430268 1011918541 /nfs/dbraw/zinc/91/85/41/1011918541.db2.gz XDAHQKFCABZQRO-OAQYLSRUSA-N 1 3 402.583 3.773 20 0 HHADHO Cc1ccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445354 1011940414 /nfs/dbraw/zinc/94/04/14/1011940414.db2.gz GXWPMZSHZPIYDH-CTNGQTDRSA-N 1 3 410.562 3.892 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032933 1012057465 /nfs/dbraw/zinc/05/74/65/1012057465.db2.gz CYAKTGTVYDLBDL-ICDZXHCJSA-N 1 3 421.585 3.592 20 0 HHADHO CNC(=O)COc1cccc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000552032933 1012057482 /nfs/dbraw/zinc/05/74/82/1012057482.db2.gz CYAKTGTVYDLBDL-ICDZXHCJSA-N 1 3 421.585 3.592 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854022 1012085776 /nfs/dbraw/zinc/08/57/76/1012085776.db2.gz XDWKAZNOZGHAKF-FUHWJXTLSA-N 1 3 401.938 3.737 20 0 HHADHO Brc1cnn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000552332471 1012340854 /nfs/dbraw/zinc/34/08/54/1012340854.db2.gz SYUMKGLYQHJMPI-YSIASYRMSA-N 1 3 403.368 3.536 20 0 HHADHO C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552420891 1012438141 /nfs/dbraw/zinc/43/81/41/1012438141.db2.gz YAOFOFDUAIEQIW-CZTZKLFOSA-N 1 3 419.560 3.913 20 0 HHADHO C[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420891 1012438148 /nfs/dbraw/zinc/43/81/48/1012438148.db2.gz YAOFOFDUAIEQIW-CZTZKLFOSA-N 1 3 419.560 3.913 20 0 HHADHO CCCOc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OCC ZINC000541760451 1012621687 /nfs/dbraw/zinc/62/16/87/1012621687.db2.gz GIMIQHNKZICKHZ-UHFFFAOYSA-N 1 3 403.611 3.724 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915892 1012775317 /nfs/dbraw/zinc/77/53/17/1012775317.db2.gz FCPHYROYVWQFFE-UUOWRZLLSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000541915892 1012775334 /nfs/dbraw/zinc/77/53/34/1012775334.db2.gz FCPHYROYVWQFFE-UUOWRZLLSA-N 1 3 422.573 3.778 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(Br)cc3)CC2)CC1 ZINC000552813531 1012819776 /nfs/dbraw/zinc/81/97/76/1012819776.db2.gz ZCKCXWBIXLISDD-UHFFFAOYSA-N 1 3 422.411 3.604 20 0 HHADHO CN(c1ccccc1CNCc1cn(C)nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000542019011 1012910894 /nfs/dbraw/zinc/91/08/94/1012910894.db2.gz NATYCTSVZMRPFD-UHFFFAOYSA-N 1 3 403.574 3.907 20 0 HHADHO C[C@H](C(=O)Nc1ccccc1CN(C)C)[C@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000570874846 1072400148 /nfs/dbraw/zinc/40/01/48/1072400148.db2.gz HOWZDBBDLMZKPV-ROUUACIJSA-N 1 3 410.562 3.659 20 0 HHADHO O=C1Nc2cc(Br)ccc2C12CC[NH+](C1CCN(CC3CC3)CC1)CC2 ZINC001168378998 1072656414 /nfs/dbraw/zinc/65/64/14/1072656414.db2.gz ZMYIXOWOYGHJRI-UHFFFAOYSA-N 1 3 418.379 3.609 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000479409596 1072830885 /nfs/dbraw/zinc/83/08/85/1072830885.db2.gz FVSOIMCXUAZCBY-NZQKXSOJSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000479409596 1072830891 /nfs/dbraw/zinc/83/08/91/1072830891.db2.gz FVSOIMCXUAZCBY-NZQKXSOJSA-N 1 3 400.611 3.975 20 0 HHADHO CC(=O)c1ccc(OC[C@H](O)CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000554871901 1072917082 /nfs/dbraw/zinc/91/70/82/1072917082.db2.gz ZWCCQZAJIQJWGD-UMEGOILYSA-N 1 3 424.585 3.897 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nccc2ccccc21 ZINC000554981503 1073040690 /nfs/dbraw/zinc/04/06/90/1073040690.db2.gz BMMJIZWHBGLTCV-LJQANCHMSA-N 1 3 402.542 3.911 20 0 HHADHO O=C(CN[C@@H](Cc1ccccc1Cl)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000573032932 1074067335 /nfs/dbraw/zinc/06/73/35/1074067335.db2.gz HQOWKSZFSWPYNN-QHCPKHFHSA-N 1 3 411.977 3.956 20 0 HHADHO CC[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N1CCc2ccccc2C1 ZINC000593500089 1075204821 /nfs/dbraw/zinc/20/48/21/1075204821.db2.gz LSINLJXYZBAQJB-HSZRJFAPSA-N 1 3 424.589 3.976 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502579 1075205568 /nfs/dbraw/zinc/20/55/68/1075205568.db2.gz UJMDQAYRNKSMSV-UGKGYDQZSA-N 1 3 410.562 3.974 20 0 HHADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172055 971541227 /nfs/dbraw/zinc/54/12/27/971541227.db2.gz VUVWDWCFUVKEMS-NQIIRXRSSA-N 1 3 411.512 3.679 20 0 HHADHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621818 1013167335 /nfs/dbraw/zinc/16/73/35/1013167335.db2.gz IOZQAIQTHJANDA-DHLKQENFSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621818 1013167372 /nfs/dbraw/zinc/16/73/72/1013167372.db2.gz IOZQAIQTHJANDA-DHLKQENFSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621818 1013167382 /nfs/dbraw/zinc/16/73/82/1013167382.db2.gz IOZQAIQTHJANDA-DHLKQENFSA-N 1 3 422.617 3.735 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000537660067 1013220104 /nfs/dbraw/zinc/22/01/04/1013220104.db2.gz XGDXKXVMTOQTCV-QZTJIDSGSA-N 1 3 400.542 3.927 20 0 HHADHO Cc1ccc([C@H]2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316190 1013272725 /nfs/dbraw/zinc/27/27/25/1013272725.db2.gz PXOVGQLMDAAJSR-QPPBQGQZSA-N 1 3 405.586 3.954 20 0 HHADHO Cc1cc([C@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2cccnc2)ccc1F ZINC000542475863 1013423550 /nfs/dbraw/zinc/42/35/50/1013423550.db2.gz MFLNEVJRUAIDQV-VWLOTQADSA-N 1 3 419.548 3.815 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(Cl)c4)CCCC3)CC2)CC1 ZINC000050798280 964400223 /nfs/dbraw/zinc/40/02/23/964400223.db2.gz JOBUXABBELOAON-UHFFFAOYSA-N 1 3 403.998 3.827 20 0 HHADHO CCCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1OCC ZINC000050802717 964401677 /nfs/dbraw/zinc/40/16/77/964401677.db2.gz NYDJFXRPSPZYRH-UHFFFAOYSA-N 1 3 417.594 3.553 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051189653 964488420 /nfs/dbraw/zinc/48/84/20/964488420.db2.gz BBULNDVZCJFOSZ-UHFFFAOYSA-N 1 3 416.013 3.791 20 0 HHADHO CN(Cc1ccc(Cl)cc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759786 964689546 /nfs/dbraw/zinc/68/95/46/964689546.db2.gz IDHFLIAJIOABSH-UHFFFAOYSA-N 1 3 413.393 3.693 20 0 HHADHO Cc1ccc(C[C@H]2CCCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000051761053 964689821 /nfs/dbraw/zinc/68/98/21/964689821.db2.gz GZTMHOZJJJTRMW-JOCHJYFZSA-N 1 3 412.622 3.518 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)CC2)CC1 ZINC000051777870 964694715 /nfs/dbraw/zinc/69/47/15/964694715.db2.gz IWQYKEMFZWXVIA-NRFANRHFSA-N 1 3 404.574 3.771 20 0 HHADHO Cc1c([C@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969023 1013545817 /nfs/dbraw/zinc/54/58/17/1013545817.db2.gz IQOAYOLLSNPHOK-BBWFWOEESA-N 1 3 405.974 3.769 20 0 HHADHO Cc1c([C@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000537969023 1013545820 /nfs/dbraw/zinc/54/58/20/1013545820.db2.gz IQOAYOLLSNPHOK-BBWFWOEESA-N 1 3 405.974 3.769 20 0 HHADHO O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000054037563 965366131 /nfs/dbraw/zinc/36/61/31/965366131.db2.gz NYOMGEMIRMDLNA-OALUTQOASA-N 1 3 400.523 3.536 20 0 HHADHO CN(CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354080 966105210 /nfs/dbraw/zinc/10/52/10/966105210.db2.gz VZTMKMSANHOAEK-JOCHJYFZSA-N 1 3 419.491 3.689 20 0 HHADHO CN(CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000060354080 966105218 /nfs/dbraw/zinc/10/52/18/966105218.db2.gz VZTMKMSANHOAEK-JOCHJYFZSA-N 1 3 419.491 3.689 20 0 HHADHO CN(C)[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000061792592 966557053 /nfs/dbraw/zinc/55/70/53/966557053.db2.gz OKKZUXCTASBBMR-QFIPXVFZSA-N 1 3 412.603 3.702 20 0 HHADHO CC[C@@H](CNC(=O)NCc1cccc(C[N@H+](C)CC)c1)N1CCc2ccccc2C1 ZINC000061863532 966566366 /nfs/dbraw/zinc/56/63/66/966566366.db2.gz ISUQVYIRKPYLMM-DEOSSOPVSA-N 1 3 408.590 3.774 20 0 HHADHO CC[C@@H](CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1)N1CCc2ccccc2C1 ZINC000061863532 966566373 /nfs/dbraw/zinc/56/63/73/966566373.db2.gz ISUQVYIRKPYLMM-DEOSSOPVSA-N 1 3 408.590 3.774 20 0 HHADHO S=C(NCc1ccccc1C[NH+]1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000063145607 966761266 /nfs/dbraw/zinc/76/12/66/966761266.db2.gz YUUOUMOIVDEFJI-UHFFFAOYSA-N 1 3 422.642 3.911 20 0 HHADHO CC1CC[NH+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063148939 966762025 /nfs/dbraw/zinc/76/20/25/966762025.db2.gz HJIFEPLKVIFJJI-UHFFFAOYSA-N 1 3 402.652 3.627 20 0 HHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063150789 966763953 /nfs/dbraw/zinc/76/39/53/966763953.db2.gz PSKFIBPHYJKWRO-IBGZPJMESA-N 1 3 402.652 3.626 20 0 HHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063150789 966763956 /nfs/dbraw/zinc/76/39/56/966763956.db2.gz PSKFIBPHYJKWRO-IBGZPJMESA-N 1 3 402.652 3.626 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407918 966847201 /nfs/dbraw/zinc/84/72/01/966847201.db2.gz CGHUHNHTUJCYFG-FQEVSTJZSA-N 1 3 404.624 3.839 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000064237167 967100582 /nfs/dbraw/zinc/10/05/82/967100582.db2.gz QSNYBZKPCZHROR-GGAORHGYSA-N 1 3 400.611 3.943 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)cc1 ZINC000064237167 967100585 /nfs/dbraw/zinc/10/05/85/967100585.db2.gz QSNYBZKPCZHROR-GGAORHGYSA-N 1 3 400.611 3.943 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542845520 1013705036 /nfs/dbraw/zinc/70/50/36/1013705036.db2.gz AZDGBEVDUDQUDO-HRAATJIYSA-N 1 3 408.571 3.931 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542845520 1013705041 /nfs/dbraw/zinc/70/50/41/1013705041.db2.gz AZDGBEVDUDQUDO-HRAATJIYSA-N 1 3 408.571 3.931 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000542848288 1013707337 /nfs/dbraw/zinc/70/73/37/1013707337.db2.gz WWOWGQWSIVPEPS-NTKDMRAZSA-N 1 3 424.589 3.978 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000542848288 1013707347 /nfs/dbraw/zinc/70/73/47/1013707347.db2.gz WWOWGQWSIVPEPS-NTKDMRAZSA-N 1 3 424.589 3.978 20 0 HHADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000064754453 967284269 /nfs/dbraw/zinc/28/42/69/967284269.db2.gz CGNMVQQGKKLFTQ-NRFANRHFSA-N 1 3 418.651 3.868 20 0 HHADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000064754453 967284281 /nfs/dbraw/zinc/28/42/81/967284281.db2.gz CGNMVQQGKKLFTQ-NRFANRHFSA-N 1 3 418.651 3.868 20 0 HHADHO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCCN(C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542890999 1013736085 /nfs/dbraw/zinc/73/60/85/1013736085.db2.gz LKLMGJWQQPFIAG-JOCHJYFZSA-N 1 3 402.583 3.636 20 0 HHADHO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCCN(C)CC2)cc1)C[C@H]1CCCCO1 ZINC000542890999 1013736093 /nfs/dbraw/zinc/73/60/93/1013736093.db2.gz LKLMGJWQQPFIAG-JOCHJYFZSA-N 1 3 402.583 3.636 20 0 HHADHO CCS(=O)(=O)C[C@@H](C)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000538208811 1013762500 /nfs/dbraw/zinc/76/25/00/1013762500.db2.gz VUBAJPZVURZGDZ-LJQANCHMSA-N 1 3 400.588 3.862 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065893569 968703731 /nfs/dbraw/zinc/70/37/31/968703731.db2.gz HIUMIBHVOJBOEL-OAQYLSRUSA-N 1 3 415.528 3.767 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297549 1013833096 /nfs/dbraw/zinc/83/30/96/1013833096.db2.gz VECSQURACQLEPZ-CVDCTZTESA-N 1 3 405.542 3.649 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000108450934 969385811 /nfs/dbraw/zinc/38/58/11/969385811.db2.gz ZKYBROGQMJNBBD-FQEVSTJZSA-N 1 3 418.582 3.798 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000110991377 969755474 /nfs/dbraw/zinc/75/54/74/969755474.db2.gz KBIKHEQQTLYYAN-BGYRXZFFSA-N 1 3 409.574 3.990 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3N3CCCCCC3)CC2)CC1 ZINC000215984705 970058563 /nfs/dbraw/zinc/05/85/63/970058563.db2.gz QLPAUCNHUNKERG-UHFFFAOYSA-N 1 3 413.610 3.747 20 0 HHADHO c1c(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000236639283 970150335 /nfs/dbraw/zinc/15/03/35/970150335.db2.gz NLRIOJYVAGZBDE-HXUWFJFHSA-N 1 3 417.557 3.525 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000554462048 1013958182 /nfs/dbraw/zinc/95/81/82/1013958182.db2.gz MJKAMNJBUDZHAT-WDJPJFJCSA-N 1 3 424.589 3.823 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000236977867 970199056 /nfs/dbraw/zinc/19/90/56/970199056.db2.gz ZYFULNMXMGMPJF-GOSISDBHSA-N 1 3 414.981 3.708 20 0 HHADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195606776 970549014 /nfs/dbraw/zinc/54/90/14/970549014.db2.gz WAANTTQRXPERKN-DNQXCXABSA-N 1 3 406.574 3.787 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000554706159 1014023022 /nfs/dbraw/zinc/02/30/22/1014023022.db2.gz ZRHGVRDVWRFYRB-OAQYLSRUSA-N 1 3 423.605 3.850 20 0 HHADHO OC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000397552815 972872089 /nfs/dbraw/zinc/87/20/89/972872089.db2.gz ZOWUHIPZZOJHQL-UHFFFAOYSA-N 1 3 407.327 3.705 20 0 HHADHO CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC000410347331 973935525 /nfs/dbraw/zinc/93/55/25/973935525.db2.gz AZNJVDDERIDKTD-RUZDIDTESA-N 1 3 420.601 3.992 20 0 HHADHO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CCN(C2CCCC2)CC1 ZINC000426149750 974267514 /nfs/dbraw/zinc/26/75/14/974267514.db2.gz CAJHTJNCCQBFDZ-UHFFFAOYSA-N 1 3 400.567 3.643 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000426770012 974647540 /nfs/dbraw/zinc/64/75/40/974647540.db2.gz NXSGZFCTMUPATQ-CALCHBBNSA-N 1 3 409.521 3.505 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000426814346 974679917 /nfs/dbraw/zinc/67/99/17/974679917.db2.gz FKQCHYMVNPCEJH-ROUUACIJSA-N 1 3 407.986 3.880 20 0 HHADHO C[C@H](NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ncc(Br)cc1F ZINC000427583141 975199465 /nfs/dbraw/zinc/19/94/65/975199465.db2.gz MAOJTOZFNPELQT-HNNXBMFYSA-N 1 3 421.358 3.581 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933764 976234084 /nfs/dbraw/zinc/23/40/84/976234084.db2.gz VFCMUJAACUYTTP-OYRHEFFESA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933764 976234097 /nfs/dbraw/zinc/23/40/97/976234097.db2.gz VFCMUJAACUYTTP-OYRHEFFESA-N 1 3 422.658 3.562 20 0 HHADHO C[NH+](C)CCC1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000429508313 976764281 /nfs/dbraw/zinc/76/42/81/976764281.db2.gz MXEZSQNWEBBJJD-HSZRJFAPSA-N 1 3 414.638 3.833 20 0 HHADHO CCN1CCN(c2cccc(NCc3ccccc3N(C)C3CC[NH+](C)CC3)c2)CC1 ZINC000430013881 977271800 /nfs/dbraw/zinc/27/18/00/977271800.db2.gz YHMDMXBJHWMRQY-UHFFFAOYSA-N 1 3 421.633 3.971 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827727 977783413 /nfs/dbraw/zinc/78/34/13/977783413.db2.gz OHTCJGDOLIMUGV-TUACAJSNSA-N 1 3 412.574 3.558 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827727 977783419 /nfs/dbraw/zinc/78/34/19/977783419.db2.gz OHTCJGDOLIMUGV-TUACAJSNSA-N 1 3 412.574 3.558 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431677701 978430503 /nfs/dbraw/zinc/43/05/03/978430503.db2.gz FGCGIHFWFKHZTK-UNMCSNQZSA-N 1 3 424.589 3.939 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431677701 978430507 /nfs/dbraw/zinc/43/05/07/978430507.db2.gz FGCGIHFWFKHZTK-UNMCSNQZSA-N 1 3 424.589 3.939 20 0 HHADHO COC(=O)c1cc([C@@H](C)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)oc1C ZINC000432821265 978985049 /nfs/dbraw/zinc/98/50/49/978985049.db2.gz WLHDZRQPIPRPCU-QGZVFWFLSA-N 1 3 405.583 3.564 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000434322474 980085804 /nfs/dbraw/zinc/08/58/04/980085804.db2.gz VTWOPRRZAGCDKE-QHCPKHFHSA-N 1 3 417.557 3.952 20 0 HHADHO CN(C)Cc1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435634535 980968626 /nfs/dbraw/zinc/96/86/26/980968626.db2.gz DECGATQVDKLHRG-QFIPXVFZSA-N 1 3 403.530 3.644 20 0 HHADHO CN(C)Cc1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000435634535 980968628 /nfs/dbraw/zinc/96/86/28/980968628.db2.gz DECGATQVDKLHRG-QFIPXVFZSA-N 1 3 403.530 3.644 20 0 HHADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000436369018 981330416 /nfs/dbraw/zinc/33/04/16/981330416.db2.gz ULUHRMYWILSOSV-QRVBRYPASA-N 1 3 400.567 3.701 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC000437217529 981873932 /nfs/dbraw/zinc/87/39/32/981873932.db2.gz PLTIESMHTPZYNQ-UHFFFAOYSA-N 1 3 403.876 3.647 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000460561288 982347290 /nfs/dbraw/zinc/34/72/90/982347290.db2.gz WCNXQFZYSOKQDH-FQUZAXHOSA-N 1 3 418.585 3.595 20 0 HHADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000460561288 982347297 /nfs/dbraw/zinc/34/72/97/982347297.db2.gz WCNXQFZYSOKQDH-FQUZAXHOSA-N 1 3 418.585 3.595 20 0 HHADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000460961731 982692751 /nfs/dbraw/zinc/69/27/51/982692751.db2.gz WLEILSSWTLLOOZ-OAQYLSRUSA-N 1 3 415.626 3.905 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438348439 982737101 /nfs/dbraw/zinc/73/71/01/982737101.db2.gz XLWIKHURNJUQQJ-NRFANRHFSA-N 1 3 402.583 3.683 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438348439 982737104 /nfs/dbraw/zinc/73/71/04/982737104.db2.gz XLWIKHURNJUQQJ-NRFANRHFSA-N 1 3 402.583 3.683 20 0 HHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@](C)(c2ccccc2)C1 ZINC000438482354 982829717 /nfs/dbraw/zinc/82/97/17/982829717.db2.gz YBCVXSSISGOXMZ-LVXARBLLSA-N 1 3 405.586 3.819 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000438961668 983180020 /nfs/dbraw/zinc/18/00/20/983180020.db2.gz BERBYTRYHRVGKM-FQEVSTJZSA-N 1 3 423.605 3.948 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438965968 983183321 /nfs/dbraw/zinc/18/33/21/983183321.db2.gz LUDCDSLNHITOFR-FQEVSTJZSA-N 1 3 423.605 3.948 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000439203971 983309247 /nfs/dbraw/zinc/30/92/47/983309247.db2.gz ZBFSDLBJOOEAFN-HXUWFJFHSA-N 1 3 421.589 3.702 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000439214314 983313676 /nfs/dbraw/zinc/31/36/76/983313676.db2.gz SJXTTZPHYCTIJM-IBGZPJMESA-N 1 3 409.578 3.558 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000439214314 983313684 /nfs/dbraw/zinc/31/36/84/983313684.db2.gz SJXTTZPHYCTIJM-IBGZPJMESA-N 1 3 409.578 3.558 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000439728752 983517097 /nfs/dbraw/zinc/51/70/97/983517097.db2.gz DSSQHFZCPCROJN-FQEVSTJZSA-N 1 3 406.574 3.635 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756935 983526524 /nfs/dbraw/zinc/52/65/24/983526524.db2.gz MHWIRZRWXYTKCW-KNQAVFIVSA-N 1 3 424.564 3.775 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756935 983526526 /nfs/dbraw/zinc/52/65/26/983526526.db2.gz MHWIRZRWXYTKCW-KNQAVFIVSA-N 1 3 424.564 3.775 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1(C)C ZINC000441332998 984190128 /nfs/dbraw/zinc/19/01/28/984190128.db2.gz LIRXIEBRVRUSMA-UHFFFAOYSA-N 1 3 421.564 3.794 20 0 HHADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000441356767 984204971 /nfs/dbraw/zinc/20/49/71/984204971.db2.gz MBGUYFCAUKGXDA-OAHLLOKOSA-N 1 3 400.336 3.723 20 0 HHADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000441356767 984204976 /nfs/dbraw/zinc/20/49/76/984204976.db2.gz MBGUYFCAUKGXDA-OAHLLOKOSA-N 1 3 400.336 3.723 20 0 HHADHO CCC[C@@H]1CCc2nc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)sc2C1 ZINC000441953520 984563046 /nfs/dbraw/zinc/56/30/46/984563046.db2.gz RFPYNUCXBCJULC-MRXNPFEDSA-N 1 3 419.639 3.728 20 0 HHADHO CC(C)[N@@H+]1CCc2nc(CNCCN3CCc4c(Cl)cccc4C3)sc2C1 ZINC000442995181 985324651 /nfs/dbraw/zinc/32/46/51/985324651.db2.gz SXNZJWMNCLZOLY-UHFFFAOYSA-N 1 3 405.011 3.711 20 0 HHADHO CC(C)[N@H+]1CCc2nc(CNCCN3CCc4c(Cl)cccc4C3)sc2C1 ZINC000442995181 985324661 /nfs/dbraw/zinc/32/46/61/985324661.db2.gz SXNZJWMNCLZOLY-UHFFFAOYSA-N 1 3 405.011 3.711 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000467980527 985625454 /nfs/dbraw/zinc/62/54/54/985625454.db2.gz ZCIXFDIJGGGPMO-GGAORHGYSA-N 1 3 413.606 3.706 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000467980527 985625458 /nfs/dbraw/zinc/62/54/58/985625458.db2.gz ZCIXFDIJGGGPMO-GGAORHGYSA-N 1 3 413.606 3.706 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000462687607 985627426 /nfs/dbraw/zinc/62/74/26/985627426.db2.gz SDJGLGSSJNUORS-HYBUGGRVSA-N 1 3 406.574 3.602 20 0 HHADHO CC1CC[NH+](CCC[C@@H](NC[C@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800508 985733036 /nfs/dbraw/zinc/73/30/36/985733036.db2.gz FTZNBUFUXOGPKO-BJKOFHAPSA-N 1 3 403.586 3.832 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123558 986088982 /nfs/dbraw/zinc/08/89/82/986088982.db2.gz KCFGBCIMJOIXGM-YKSBVNFPSA-N 1 3 405.602 3.559 20 0 HHADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000463246874 986215138 /nfs/dbraw/zinc/21/51/38/986215138.db2.gz XRDAJOYBKRMABH-LQWUYIKVSA-N 1 3 419.613 3.655 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)C[C@H](C)O1 ZINC000463278877 986245669 /nfs/dbraw/zinc/24/56/69/986245669.db2.gz DNEKXTNSPGJANG-WBAPNYJUSA-N 1 3 420.601 3.980 20 0 HHADHO Fc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)cc1 ZINC000463303244 986270787 /nfs/dbraw/zinc/27/07/87/986270787.db2.gz QQFWESJJDOQJAU-VGPBXHGJSA-N 1 3 423.576 3.984 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)CC1 ZINC000444859809 987015937 /nfs/dbraw/zinc/01/59/37/987015937.db2.gz OGLQKWCATJHATJ-UHFFFAOYSA-N 1 3 412.500 3.862 20 0 HHADHO Cc1c(COC(C)(C)C)cccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000444862152 987018632 /nfs/dbraw/zinc/01/86/32/987018632.db2.gz VKPKANBPGOHQGP-UHFFFAOYSA-N 1 3 416.610 3.990 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469696475 987354428 /nfs/dbraw/zinc/35/44/28/987354428.db2.gz VXKRKYDUWDQNDL-HXUWFJFHSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469696475 987354440 /nfs/dbraw/zinc/35/44/40/987354440.db2.gz VXKRKYDUWDQNDL-HXUWFJFHSA-N 1 3 400.526 3.984 20 0 HHADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229111 988162139 /nfs/dbraw/zinc/16/21/39/988162139.db2.gz AHXCEHLUKZDXFH-UNMCSNQZSA-N 1 3 423.523 3.631 20 0 HHADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229111 988162144 /nfs/dbraw/zinc/16/21/44/988162144.db2.gz AHXCEHLUKZDXFH-UNMCSNQZSA-N 1 3 423.523 3.631 20 0 HHADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464830836 989071436 /nfs/dbraw/zinc/07/14/36/989071436.db2.gz MPJWFGCNURPBCP-UXHICEINSA-N 1 3 406.640 3.798 20 0 HHADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464830836 989071444 /nfs/dbraw/zinc/07/14/44/989071444.db2.gz MPJWFGCNURPBCP-UXHICEINSA-N 1 3 406.640 3.798 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000465457590 989797543 /nfs/dbraw/zinc/79/75/43/989797543.db2.gz XCYXDKICLUCPHI-VWNXMTODSA-N 1 3 408.590 3.843 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000465457590 989797547 /nfs/dbraw/zinc/79/75/47/989797547.db2.gz XCYXDKICLUCPHI-VWNXMTODSA-N 1 3 408.590 3.843 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491656 989840156 /nfs/dbraw/zinc/84/01/56/989840156.db2.gz VCKBLSUAHDTAHA-UNMCSNQZSA-N 1 3 404.599 3.594 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491656 989840167 /nfs/dbraw/zinc/84/01/67/989840167.db2.gz VCKBLSUAHDTAHA-UNMCSNQZSA-N 1 3 404.599 3.594 20 0 HHADHO C[C@H]1CCC[C@](CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)([NH+](C)C)C1 ZINC000471713554 989912238 /nfs/dbraw/zinc/91/22/38/989912238.db2.gz FYPCQZDZMFGVRQ-ZPQVWODMSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734042 989930108 /nfs/dbraw/zinc/93/01/08/989930108.db2.gz FHJUIFCJOMJUPC-ZLPCBKJTSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000471734042 989930115 /nfs/dbraw/zinc/93/01/15/989930115.db2.gz FHJUIFCJOMJUPC-ZLPCBKJTSA-N 1 3 418.548 3.601 20 0 HHADHO C[C@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000465616446 990002524 /nfs/dbraw/zinc/00/25/24/990002524.db2.gz SKUANBAGRAZZDB-QFIPXVFZSA-N 1 3 408.590 3.815 20 0 HHADHO C[C@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000465616446 990002529 /nfs/dbraw/zinc/00/25/29/990002529.db2.gz SKUANBAGRAZZDB-QFIPXVFZSA-N 1 3 408.590 3.815 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745800 990131127 /nfs/dbraw/zinc/13/11/27/990131127.db2.gz GHGLDOSEIMVZPB-PFATUAPWSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745800 990131131 /nfs/dbraw/zinc/13/11/31/990131131.db2.gz GHGLDOSEIMVZPB-PFATUAPWSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872570 990986470 /nfs/dbraw/zinc/98/64/70/990986470.db2.gz IJXIFDAXZCJOJU-URXFXBBRSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872570 990986486 /nfs/dbraw/zinc/98/64/86/990986486.db2.gz IJXIFDAXZCJOJU-URXFXBBRSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000466437291 991725968 /nfs/dbraw/zinc/72/59/68/991725968.db2.gz AEWVOCQNRBJSFX-YKSBVNFPSA-N 1 3 406.574 3.745 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000466535603 991836743 /nfs/dbraw/zinc/83/67/43/991836743.db2.gz GSIPPHHJZFMKKV-HYBUGGRVSA-N 1 3 408.590 3.943 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000467361877 992680500 /nfs/dbraw/zinc/68/05/00/992680500.db2.gz KJWZQGRKTWBAQQ-ICDZXHCJSA-N 1 3 403.570 3.575 20 0 HHADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000467361877 992680502 /nfs/dbraw/zinc/68/05/02/992680502.db2.gz KJWZQGRKTWBAQQ-ICDZXHCJSA-N 1 3 403.570 3.575 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000480768398 993633793 /nfs/dbraw/zinc/63/37/93/993633793.db2.gz GMODFMCJHJDOEJ-KRWDZBQOSA-N 1 3 402.608 3.805 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329575 994149049 /nfs/dbraw/zinc/14/90/49/994149049.db2.gz IBPZUPNOUDBTCP-XXBNENTESA-N 1 3 409.578 3.641 20 0 HHADHO Cc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481331582 994151468 /nfs/dbraw/zinc/15/14/68/994151468.db2.gz HLXYNLQBXWXWCZ-RTBURBONSA-N 1 3 403.592 3.637 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473530025 994387492 /nfs/dbraw/zinc/38/74/92/994387492.db2.gz QLQWPBIOJVXTFX-DMKPSLHHSA-N 1 3 401.517 3.563 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473530025 994387500 /nfs/dbraw/zinc/38/75/00/994387500.db2.gz QLQWPBIOJVXTFX-DMKPSLHHSA-N 1 3 401.517 3.563 20 0 HHADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473554125 994416727 /nfs/dbraw/zinc/41/67/27/994416727.db2.gz RFWMESWWCRTCFO-FQEVSTJZSA-N 1 3 401.570 3.951 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829625 994760807 /nfs/dbraw/zinc/76/08/07/994760807.db2.gz MEGNZLYUACHFQS-DEOSSOPVSA-N 1 3 421.589 3.567 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473829625 994760820 /nfs/dbraw/zinc/76/08/20/994760820.db2.gz MEGNZLYUACHFQS-DEOSSOPVSA-N 1 3 421.589 3.567 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3ccccc3C[N@H+](C)C(C)C)c2)CC1 ZINC000473832425 994763974 /nfs/dbraw/zinc/76/39/74/994763974.db2.gz ZOVZKUDSWQFXDD-UHFFFAOYSA-N 1 3 423.605 3.990 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c2)CC1 ZINC000473832425 994763989 /nfs/dbraw/zinc/76/39/89/994763989.db2.gz ZOVZKUDSWQFXDD-UHFFFAOYSA-N 1 3 423.605 3.990 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)c2)CC1 ZINC000473838240 994772583 /nfs/dbraw/zinc/77/25/83/994772583.db2.gz UXSGYLZGYMGOGH-UHFFFAOYSA-N 1 3 413.610 3.747 20 0 HHADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000481972940 994866074 /nfs/dbraw/zinc/86/60/74/994866074.db2.gz LFIPWBMKRJEUDS-LJQANCHMSA-N 1 3 407.624 3.776 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccnn1-c1ccc(F)cc1 ZINC000474278701 995274210 /nfs/dbraw/zinc/27/42/10/995274210.db2.gz YIOJORUXIMWZOZ-UHFFFAOYSA-N 1 3 413.585 3.640 20 0 HHADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(-n2cnnn2)cc1 ZINC000482633157 995627550 /nfs/dbraw/zinc/62/75/50/995627550.db2.gz RJKHYBIMRUQRRQ-KRWDZBQOSA-N 1 3 410.953 3.879 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643705 995638420 /nfs/dbraw/zinc/63/84/20/995638420.db2.gz QGWQQJPTZHOXKV-PWAGRJGVSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482643705 995638429 /nfs/dbraw/zinc/63/84/29/995638429.db2.gz QGWQQJPTZHOXKV-PWAGRJGVSA-N 1 3 409.549 3.936 20 0 HHADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000482883927 995816371 /nfs/dbraw/zinc/81/63/71/995816371.db2.gz DGWPGTIHNZGVRX-OAHLLOKOSA-N 1 3 417.541 3.934 20 0 HHADHO CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475132134 995943457 /nfs/dbraw/zinc/94/34/57/995943457.db2.gz GWLOMFADELOMJE-XMMPIXPASA-N 1 3 406.574 3.698 20 0 HHADHO CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475132133 995943517 /nfs/dbraw/zinc/94/35/17/995943517.db2.gz GWLOMFADELOMJE-DEOSSOPVSA-N 1 3 406.574 3.698 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475290194 996048359 /nfs/dbraw/zinc/04/83/59/996048359.db2.gz GTVQBWGWKBPHMX-NQHRYMMQSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475290194 996048364 /nfs/dbraw/zinc/04/83/64/996048364.db2.gz GTVQBWGWKBPHMX-NQHRYMMQSA-N 1 3 420.601 3.813 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475555278 996216806 /nfs/dbraw/zinc/21/68/06/996216806.db2.gz QEOXKEZJRAMMJM-HSZRJFAPSA-N 1 3 409.574 3.754 20 0 HHADHO O=C(CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736441 996335274 /nfs/dbraw/zinc/33/52/74/996335274.db2.gz HXRILRJWTNZTCP-RUZDIDTESA-N 1 3 421.541 3.732 20 0 HHADHO O=C(CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000475736441 996335282 /nfs/dbraw/zinc/33/52/82/996335282.db2.gz HXRILRJWTNZTCP-RUZDIDTESA-N 1 3 421.541 3.732 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C[C@H]1C ZINC000483706354 996340193 /nfs/dbraw/zinc/34/01/93/996340193.db2.gz FEABBWONJQLFEO-PUHATCMVSA-N 1 3 400.611 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C[C@H]1C ZINC000483706354 996340195 /nfs/dbraw/zinc/34/01/95/996340195.db2.gz FEABBWONJQLFEO-PUHATCMVSA-N 1 3 400.611 3.974 20 0 HHADHO CC(C)Oc1c(Cl)cccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000483935601 996477946 /nfs/dbraw/zinc/47/79/46/996477946.db2.gz VNCQQKWZEUJACW-UHFFFAOYSA-N 1 3 408.974 3.807 20 0 HHADHO CN(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564313 997058650 /nfs/dbraw/zinc/05/86/50/997058650.db2.gz KVLZFGBXNZBLPR-WQYPUDFKSA-N 1 3 420.601 3.654 20 0 HHADHO CN(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476564313 997058658 /nfs/dbraw/zinc/05/86/58/997058658.db2.gz KVLZFGBXNZBLPR-WQYPUDFKSA-N 1 3 420.601 3.654 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624013 997143572 /nfs/dbraw/zinc/14/35/72/997143572.db2.gz HZCOJVPRTFKCRQ-RDPSFJRHSA-N 1 3 424.589 3.652 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)c1 ZINC000476624013 997143576 /nfs/dbraw/zinc/14/35/76/997143576.db2.gz HZCOJVPRTFKCRQ-RDPSFJRHSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710741 997252001 /nfs/dbraw/zinc/25/20/01/997252001.db2.gz VVYMZARWMLOGEL-QUCCMNQESA-N 1 3 400.592 3.705 20 0 HHADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710741 997252014 /nfs/dbraw/zinc/25/20/14/997252014.db2.gz VVYMZARWMLOGEL-QUCCMNQESA-N 1 3 400.592 3.705 20 0 HHADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775291 998250379 /nfs/dbraw/zinc/25/03/79/998250379.db2.gz RVLROIHZFMYQIO-DNVJHFABSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@H]21 ZINC000485775291 998250388 /nfs/dbraw/zinc/25/03/88/998250388.db2.gz RVLROIHZFMYQIO-DNVJHFABSA-N 1 3 412.622 3.585 20 0 HHADHO CC(C)([C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486119769 998567736 /nfs/dbraw/zinc/56/77/36/998567736.db2.gz LCVFELGNUVETQS-OAQYLSRUSA-N 1 3 405.533 3.871 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000478869695 999184833 /nfs/dbraw/zinc/18/48/33/999184833.db2.gz HLRCLOXWIIHGKV-XMMPIXPASA-N 1 3 424.589 3.570 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000478900751 999201650 /nfs/dbraw/zinc/20/16/50/999201650.db2.gz STJUDRQTJFJHHC-HSZRJFAPSA-N 1 3 412.553 3.701 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC000479038554 999260516 /nfs/dbraw/zinc/26/05/16/999260516.db2.gz BVPFDRURRGMPKW-UHFFFAOYSA-N 1 3 409.578 3.602 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014263 999348971 /nfs/dbraw/zinc/34/89/71/999348971.db2.gz MWMCDXODQBOYCT-GDKQOWJMSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014263 999348974 /nfs/dbraw/zinc/34/89/74/999348974.db2.gz MWMCDXODQBOYCT-GDKQOWJMSA-N 1 3 406.574 3.642 20 0 HHADHO Cc1cc2[nH]c(CNCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544262 999470011 /nfs/dbraw/zinc/47/00/11/999470011.db2.gz MVKJSTHWBWWRSY-OAQYLSRUSA-N 1 3 404.558 3.772 20 0 HHADHO Cc1cc2[nH]c(CNCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(C)c1 ZINC000479544262 999470014 /nfs/dbraw/zinc/47/00/14/999470014.db2.gz MVKJSTHWBWWRSY-OAQYLSRUSA-N 1 3 404.558 3.772 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000489249958 999730169 /nfs/dbraw/zinc/73/01/69/999730169.db2.gz PGJNHADIFJPMGQ-FXAWDEMLSA-N 1 3 418.607 3.982 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333066 999747223 /nfs/dbraw/zinc/74/72/23/999747223.db2.gz PXICZLVFBLCJEJ-DQEYMECFSA-N 1 3 420.601 3.957 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333066 999747225 /nfs/dbraw/zinc/74/72/25/999747225.db2.gz PXICZLVFBLCJEJ-DQEYMECFSA-N 1 3 420.601 3.957 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000480220752 999748899 /nfs/dbraw/zinc/74/88/99/999748899.db2.gz DNZBKFOWRAARPE-IBGZPJMESA-N 1 3 415.603 3.677 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)cc1 ZINC000480394511 999788437 /nfs/dbraw/zinc/78/84/37/999788437.db2.gz OMXIUQIQTCPVEF-FXSWLTOZSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccc([C@H](OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2)cc1 ZINC000480394511 999788439 /nfs/dbraw/zinc/78/84/39/999788439.db2.gz OMXIUQIQTCPVEF-FXSWLTOZSA-N 1 3 408.586 3.878 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480452752 999802528 /nfs/dbraw/zinc/80/25/28/999802528.db2.gz BLXODBDZGXZUBG-IBGZPJMESA-N 1 3 415.603 3.774 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612504 999840921 /nfs/dbraw/zinc/84/09/21/999840921.db2.gz PCVCLOQGRHLGNT-MOPGFXCFSA-N 1 3 415.603 3.677 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000480612504 999840923 /nfs/dbraw/zinc/84/09/23/999840923.db2.gz PCVCLOQGRHLGNT-MOPGFXCFSA-N 1 3 415.603 3.677 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618618 999842628 /nfs/dbraw/zinc/84/26/28/999842628.db2.gz WOTVTRFBWBXJEN-UONOGXRCSA-N 1 3 407.452 3.566 20 0 HHADHO COCCN(C)c1ccc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cn1 ZINC000480665496 999854431 /nfs/dbraw/zinc/85/44/31/999854431.db2.gz XRKJYAGWVILVSE-SFTDATJTSA-N 1 3 410.606 3.932 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000480701651 999863259 /nfs/dbraw/zinc/86/32/59/999863259.db2.gz GJTIFSORNQTUCI-OAQYLSRUSA-N 1 3 403.574 3.861 20 0 HHADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491025337 1000035540 /nfs/dbraw/zinc/03/55/40/1000035540.db2.gz CLHXSCQKCMJRCN-NRFANRHFSA-N 1 3 405.586 3.804 20 0 HHADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491025337 1000035542 /nfs/dbraw/zinc/03/55/42/1000035542.db2.gz CLHXSCQKCMJRCN-NRFANRHFSA-N 1 3 405.586 3.804 20 0 HHADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000491059101 1000040611 /nfs/dbraw/zinc/04/06/11/1000040611.db2.gz JOJHHYIMOJCHEE-HFZDXXHNSA-N 1 3 404.602 3.581 20 0 HHADHO Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000492289200 1000120056 /nfs/dbraw/zinc/12/00/56/1000120056.db2.gz IGAQBXYBRUVAHI-QHCPKHFHSA-N 1 3 400.611 3.892 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000504776726 1000364899 /nfs/dbraw/zinc/36/48/99/1000364899.db2.gz AVSLOZXVWKPCQK-UHFFFAOYSA-N 1 3 400.611 3.587 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)c(F)c(Cl)c3)CC2)CC1 ZINC000494868348 1000704654 /nfs/dbraw/zinc/70/46/54/1000704654.db2.gz LQHJYAYGRSMHDI-UHFFFAOYSA-N 1 3 403.329 3.813 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)N2CCCC2)cc1 ZINC000505726791 1000995286 /nfs/dbraw/zinc/99/52/86/1000995286.db2.gz NARSMEAVGBXKRJ-VEXUSMLFSA-N 1 3 424.589 3.823 20 0 HHADHO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506008727 1001158737 /nfs/dbraw/zinc/15/87/37/1001158737.db2.gz FHROTFPOPYGAMT-OAQYLSRUSA-N 1 3 401.501 3.522 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CN(C)Cc2ccccc2N2CCOCC2)CC1 ZINC000506146120 1001247578 /nfs/dbraw/zinc/24/75/78/1001247578.db2.gz BCWFCGZAWBXYDH-UHFFFAOYSA-N 1 3 422.617 3.687 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000506148103 1001248922 /nfs/dbraw/zinc/24/89/22/1001248922.db2.gz OMTADXMSNYBKPV-JOCHJYFZSA-N 1 3 418.589 3.641 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000506148103 1001248927 /nfs/dbraw/zinc/24/89/27/1001248927.db2.gz OMTADXMSNYBKPV-JOCHJYFZSA-N 1 3 418.589 3.641 20 0 HHADHO C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCN1Cc1ccccc1 ZINC000497561390 1001435896 /nfs/dbraw/zinc/43/58/96/1001435896.db2.gz FQNAREOXYVICOF-OAQYLSRUSA-N 1 3 412.622 3.947 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706347 1002089927 /nfs/dbraw/zinc/08/99/27/1002089927.db2.gz FYAOSHLRGVIBLD-RBBKRZOGSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498706347 1002089940 /nfs/dbraw/zinc/08/99/40/1002089940.db2.gz FYAOSHLRGVIBLD-RBBKRZOGSA-N 1 3 424.589 3.796 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893773 1002283463 /nfs/dbraw/zinc/28/34/63/1002283463.db2.gz JYEFFJSOMZDNSU-APTRMMRNSA-N 1 3 424.589 3.650 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000498893773 1002283473 /nfs/dbraw/zinc/28/34/73/1002283473.db2.gz JYEFFJSOMZDNSU-APTRMMRNSA-N 1 3 424.589 3.650 20 0 HHADHO c1csc([C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141851 1002526745 /nfs/dbraw/zinc/52/67/45/1002526745.db2.gz NLWZFCUGVHOHCD-KAOXLYBCSA-N 1 3 411.615 3.907 20 0 HHADHO c1ccc(CN2CCO[C@@H](CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000499155018 1002539154 /nfs/dbraw/zinc/53/91/54/1002539154.db2.gz GGXINKXOSITPMG-SSUZURRFSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(CN2CCO[C@@H](CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000499155018 1002539164 /nfs/dbraw/zinc/53/91/64/1002539164.db2.gz GGXINKXOSITPMG-SSUZURRFSA-N 1 3 405.586 3.673 20 0 HHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156163 1002539842 /nfs/dbraw/zinc/53/98/42/1002539842.db2.gz LANHFIQYHCPVRN-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156163 1002539851 /nfs/dbraw/zinc/53/98/51/1002539851.db2.gz LANHFIQYHCPVRN-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156163 1002539863 /nfs/dbraw/zinc/53/98/63/1002539863.db2.gz LANHFIQYHCPVRN-PBROBROCSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156162 1002540350 /nfs/dbraw/zinc/54/03/50/1002540350.db2.gz LANHFIQYHCPVRN-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156162 1002540354 /nfs/dbraw/zinc/54/03/54/1002540354.db2.gz LANHFIQYHCPVRN-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)C3)cc1 ZINC000499156162 1002540359 /nfs/dbraw/zinc/54/03/59/1002540359.db2.gz LANHFIQYHCPVRN-OOSCYNTBSA-N 1 3 405.586 3.804 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)CCO1 ZINC000499164058 1002550614 /nfs/dbraw/zinc/55/06/14/1002550614.db2.gz YXYQLPRCDOGRNK-CDIGIKMISA-N 1 3 406.574 3.592 20 0 HHADHO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499236399 1002626928 /nfs/dbraw/zinc/62/69/28/1002626928.db2.gz XRDAJOYBKRMABH-AFTJIJFZSA-N 1 3 419.613 3.655 20 0 HHADHO C[C@@H]1CCC[C@H](OCCCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000499384179 1002775492 /nfs/dbraw/zinc/77/54/92/1002775492.db2.gz NUAVLPAUUFHYBN-OFNKIYASSA-N 1 3 407.643 3.817 20 0 HHADHO CN(Cc1c(Cl)cccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000508566346 1003033082 /nfs/dbraw/zinc/03/30/82/1003033082.db2.gz FLZFDBCPTSRVPE-UHFFFAOYSA-N 1 3 413.393 3.693 20 0 HHADHO Cc1cccc([C@H](C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719499 1003160137 /nfs/dbraw/zinc/16/01/37/1003160137.db2.gz KWJUHZZNYZHZTO-RCXJIHSJSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+](C)C ZINC000508868484 1003288352 /nfs/dbraw/zinc/28/83/52/1003288352.db2.gz FTTNQADKGBHRNJ-CVDCTZTESA-N 1 3 412.578 3.885 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000508874916 1003294613 /nfs/dbraw/zinc/29/46/13/1003294613.db2.gz VMXODEHPRJDQAM-TZYHBYERSA-N 1 3 412.578 3.597 20 0 HHADHO C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508880794 1003302091 /nfs/dbraw/zinc/30/20/91/1003302091.db2.gz MKQQQVAGRDDEKL-OFNKIYASSA-N 1 3 400.611 3.975 20 0 HHADHO CN(C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899235 1003332882 /nfs/dbraw/zinc/33/28/82/1003332882.db2.gz SZNXJERRRNROKK-IRLDBZIGSA-N 1 3 419.491 3.860 20 0 HHADHO CN(C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000508899235 1003332893 /nfs/dbraw/zinc/33/28/93/1003332893.db2.gz SZNXJERRRNROKK-IRLDBZIGSA-N 1 3 419.491 3.860 20 0 HHADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941896 1003393770 /nfs/dbraw/zinc/39/37/70/1003393770.db2.gz MRMXCLTWGKVCQD-OPYAIIAOSA-N 1 3 411.512 3.820 20 0 HHADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941896 1003393758 /nfs/dbraw/zinc/39/37/58/1003393758.db2.gz MRMXCLTWGKVCQD-OPYAIIAOSA-N 1 3 411.512 3.820 20 0 HHADHO C[NH+](C)CCCC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000500764983 1003944781 /nfs/dbraw/zinc/94/47/81/1003944781.db2.gz DFYHXRKCGMGIMB-UHFFFAOYSA-N 1 3 400.611 3.587 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579142 1003957756 /nfs/dbraw/zinc/95/77/56/1003957756.db2.gz TZZQNTRZQNGCFY-PCCBWWKXSA-N 1 3 404.599 3.862 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)c3ccc(F)cc3Cl)CC2)CC1 ZINC000500797568 1003963954 /nfs/dbraw/zinc/96/39/54/1003963954.db2.gz CHBLTCXHMNKUMT-UHFFFAOYSA-N 1 3 424.992 3.615 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000512036669 1003972065 /nfs/dbraw/zinc/97/20/65/1003972065.db2.gz ATCHADWDCDDXFL-IRXDYDNUSA-N 1 3 410.484 3.870 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604393 1003973901 /nfs/dbraw/zinc/97/39/01/1003973901.db2.gz SWZMASLESVOBLA-RXVVDRJESA-N 1 3 413.566 3.662 20 0 HHADHO CC(C)N1CCN(CCC[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000501013272 1004116770 /nfs/dbraw/zinc/11/67/70/1004116770.db2.gz YOQBCHZDTBLVOF-DEOSSOPVSA-N 1 3 423.580 3.922 20 0 HHADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048912 1004150591 /nfs/dbraw/zinc/15/05/91/1004150591.db2.gz IKLBDEHYYGDUML-KRWDZBQOSA-N 1 3 416.516 3.728 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c(OC)c1 ZINC000512324794 1004217977 /nfs/dbraw/zinc/21/79/77/1004217977.db2.gz SKTQBFKOHQWZHH-OKZBNKHCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324794 1004217989 /nfs/dbraw/zinc/21/79/89/1004217989.db2.gz SKTQBFKOHQWZHH-OKZBNKHCSA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324794 1004218001 /nfs/dbraw/zinc/21/80/01/1004218001.db2.gz SKTQBFKOHQWZHH-OKZBNKHCSA-N 1 3 403.567 3.664 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000501187341 1004264259 /nfs/dbraw/zinc/26/42/59/1004264259.db2.gz MDJLEQHFPKMJND-IBGZPJMESA-N 1 3 424.680 3.792 20 0 HHADHO CCCCCC(=O)NC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000512591157 1004407017 /nfs/dbraw/zinc/40/70/17/1004407017.db2.gz VARUZCXIWIDLCD-UHFFFAOYSA-N 1 3 414.638 3.878 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000510244549 1004421117 /nfs/dbraw/zinc/42/11/17/1004421117.db2.gz UDCNKIMQBJMFCD-NHCUHLMSSA-N 1 3 405.533 3.621 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632350 1004444645 /nfs/dbraw/zinc/44/46/45/1004444645.db2.gz ZKYVQZCEJDHNRV-QLBJFCOMSA-N 1 3 421.585 3.592 20 0 HHADHO CCNC(=O)COc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512632350 1004444649 /nfs/dbraw/zinc/44/46/49/1004444649.db2.gz ZKYVQZCEJDHNRV-QLBJFCOMSA-N 1 3 421.585 3.592 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000501492949 1004463899 /nfs/dbraw/zinc/46/38/99/1004463899.db2.gz XTNZHITZKXITJE-UPVQGACJSA-N 1 3 406.574 3.723 20 0 HHADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512669876 1004479762 /nfs/dbraw/zinc/47/97/62/1004479762.db2.gz ZVFMTTUFASVAAL-NRFANRHFSA-N 1 3 407.549 3.916 20 0 HHADHO c1cc(Sc2ccccn2)oc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000510371305 1004516322 /nfs/dbraw/zinc/51/63/22/1004516322.db2.gz AAVOTEHTIOFETG-UHFFFAOYSA-N 1 3 409.559 3.523 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)N(C)C)cc1 ZINC000512820772 1004579935 /nfs/dbraw/zinc/57/99/35/1004579935.db2.gz NTNUNYIWNVYTPP-GMAHTHKFSA-N 1 3 416.610 3.736 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501667405 1004585885 /nfs/dbraw/zinc/58/58/85/1004585885.db2.gz VNUPIYJFAPEPMX-YADHBBJMSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501667405 1004585890 /nfs/dbraw/zinc/58/58/90/1004585890.db2.gz VNUPIYJFAPEPMX-YADHBBJMSA-N 1 3 409.578 3.842 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000512831076 1004589190 /nfs/dbraw/zinc/58/91/90/1004589190.db2.gz FDALZVWVINZHLK-FYYLOGMGSA-N 1 3 416.610 3.736 20 0 HHADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544865 1004677529 /nfs/dbraw/zinc/67/75/29/1004677529.db2.gz JQMLJTVCIHLSNP-BJLQDIEVSA-N 1 3 404.624 3.837 20 0 HHADHO C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544865 1004677533 /nfs/dbraw/zinc/67/75/33/1004677533.db2.gz JQMLJTVCIHLSNP-BJLQDIEVSA-N 1 3 404.624 3.837 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000512919520 1004691166 /nfs/dbraw/zinc/69/11/66/1004691166.db2.gz ZXISDTNPKOICBA-IFMALSPDSA-N 1 3 404.599 3.592 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000512919520 1004691177 /nfs/dbraw/zinc/69/11/77/1004691177.db2.gz ZXISDTNPKOICBA-IFMALSPDSA-N 1 3 404.599 3.592 20 0 HHADHO O=C(NCCC[NH2+]C1CCN(C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000513067842 1004789280 /nfs/dbraw/zinc/78/92/80/1004789280.db2.gz HWLITGNETCWZEI-UHFFFAOYSA-N 1 3 422.411 3.956 20 0 HHADHO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1CCCCCC1 ZINC000510781642 1004848971 /nfs/dbraw/zinc/84/89/71/1004848971.db2.gz USJARVFTFAMEBX-IBGZPJMESA-N 1 3 400.567 3.704 20 0 HHADHO CN1CCN(c2ccc(C(F)(F)F)cc2CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000513203817 1004859304 /nfs/dbraw/zinc/85/93/04/1004859304.db2.gz KRVDMBANWKCEKI-UHFFFAOYSA-N 1 3 412.544 3.810 20 0 HHADHO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000513334278 1004916121 /nfs/dbraw/zinc/91/61/21/1004916121.db2.gz GCQFGLREJGOICC-IBGZPJMESA-N 1 3 401.595 3.917 20 0 HHADHO C[NH+]1CCC2(CCCN2C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000511017824 1004981646 /nfs/dbraw/zinc/98/16/46/1004981646.db2.gz QZTNICFAAUHCAK-QFIPXVFZSA-N 1 3 412.622 3.729 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2)CC1 ZINC000511291085 1005110398 /nfs/dbraw/zinc/11/03/98/1005110398.db2.gz UVHJCFAFHWLWLV-IFMALSPDSA-N 1 3 412.622 3.600 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2)CC1 ZINC000511291085 1005110401 /nfs/dbraw/zinc/11/04/01/1005110401.db2.gz UVHJCFAFHWLWLV-IFMALSPDSA-N 1 3 412.622 3.600 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000502876863 1005254621 /nfs/dbraw/zinc/25/46/21/1005254621.db2.gz OUXAFMGAYVMMRK-OFNKIYASSA-N 1 3 416.610 3.643 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)N2CCCC2)c1 ZINC000502876863 1005254625 /nfs/dbraw/zinc/25/46/25/1005254625.db2.gz OUXAFMGAYVMMRK-OFNKIYASSA-N 1 3 416.610 3.643 20 0 HHADHO CCCN1CCN(c2ccccc2CNc2ccc(OC3CC[NH+](C)CC3)nc2)CC1 ZINC000514077947 1005255534 /nfs/dbraw/zinc/25/55/34/1005255534.db2.gz CHCKCDLZYUNAEM-UHFFFAOYSA-N 1 3 423.605 3.699 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000511639074 1005255734 /nfs/dbraw/zinc/25/57/34/1005255734.db2.gz DKGQMVXKRHJNRD-UHFFFAOYSA-N 1 3 416.997 3.804 20 0 HHADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000511663023 1005266918 /nfs/dbraw/zinc/26/69/18/1005266918.db2.gz LEZOYHHEXPTZPE-UHFFFAOYSA-N 1 3 416.997 3.804 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514115270 1005272198 /nfs/dbraw/zinc/27/21/98/1005272198.db2.gz QSNYBZKPCZHROR-GMAHTHKFSA-N 1 3 400.611 3.943 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000514115270 1005272200 /nfs/dbraw/zinc/27/22/00/1005272200.db2.gz QSNYBZKPCZHROR-GMAHTHKFSA-N 1 3 400.611 3.943 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC000514171453 1005297974 /nfs/dbraw/zinc/29/79/74/1005297974.db2.gz BQHKLKAFMBIXBR-RPWUZVMVSA-N 1 3 406.574 3.706 20 0 HHADHO CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000514181339 1005300879 /nfs/dbraw/zinc/30/08/79/1005300879.db2.gz BLIHFYUXIDWZHQ-QHCPKHFHSA-N 1 3 400.611 3.945 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000503420844 1005415212 /nfs/dbraw/zinc/41/52/12/1005415212.db2.gz MDQIWZFAMWCXDW-VNXZQDSDSA-N 1 3 400.611 3.804 20 0 HHADHO CC[NH+]1CCC(N(C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000531143460 1006016790 /nfs/dbraw/zinc/01/67/90/1006016790.db2.gz DJIIEEXPFNEQAO-HSZRJFAPSA-N 1 3 418.528 3.848 20 0 HHADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1OC(F)F ZINC000531989364 1006564093 /nfs/dbraw/zinc/56/40/93/1006564093.db2.gz QRGJJFNYIBVSIQ-AWEZNQCLSA-N 1 3 410.896 3.939 20 0 HHADHO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)ccc1OC(F)F ZINC000531989364 1006564103 /nfs/dbraw/zinc/56/41/03/1006564103.db2.gz QRGJJFNYIBVSIQ-AWEZNQCLSA-N 1 3 410.896 3.939 20 0 HHADHO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531994430 1006566325 /nfs/dbraw/zinc/56/63/25/1006566325.db2.gz CBTOYVMSUOGACA-GOSISDBHSA-N 1 3 422.573 3.778 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183870 1006703118 /nfs/dbraw/zinc/70/31/18/1006703118.db2.gz UGBFYTOOXIBSIW-ZJSXRUAMSA-N 1 3 412.622 3.797 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183870 1006703131 /nfs/dbraw/zinc/70/31/31/1006703131.db2.gz UGBFYTOOXIBSIW-ZJSXRUAMSA-N 1 3 412.622 3.797 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000515922841 1006765999 /nfs/dbraw/zinc/76/59/99/1006765999.db2.gz LRLCVUNQGGKCSB-QFIPXVFZSA-N 1 3 412.553 3.564 20 0 HHADHO CCN1CCN(Cc2ccc(N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC000538538928 1006800268 /nfs/dbraw/zinc/80/02/68/1006800268.db2.gz QAUSZPGSVJLIIV-OAQYLSRUSA-N 1 3 410.606 3.938 20 0 HHADHO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4C)cc3)cn2)CC1 ZINC000532446978 1006888631 /nfs/dbraw/zinc/88/86/31/1006888631.db2.gz OSMXXSPWRCDHAI-IBGZPJMESA-N 1 3 404.562 3.568 20 0 HHADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532504386 1006944846 /nfs/dbraw/zinc/94/48/46/1006944846.db2.gz WKXVSBIFNDSDSU-HOTGVXAUSA-N 1 3 413.484 3.513 20 0 HHADHO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723157 1006998433 /nfs/dbraw/zinc/99/84/33/1006998433.db2.gz MYMNCWUFCGEWDG-REWPJTCUSA-N 1 3 409.622 3.628 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723157 1006998442 /nfs/dbraw/zinc/99/84/42/1006998442.db2.gz MYMNCWUFCGEWDG-REWPJTCUSA-N 1 3 409.622 3.628 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333299 1007023660 /nfs/dbraw/zinc/02/36/60/1007023660.db2.gz PPNVWFLDAGEPAU-LADGPHEKSA-N 1 3 424.589 3.502 20 0 HHADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cc(C(F)(F)F)ccc1Br ZINC000516353509 1007036532 /nfs/dbraw/zinc/03/65/32/1007036532.db2.gz XPSXJVSVTKARNW-OAHLLOKOSA-N 1 3 409.290 3.794 20 0 HHADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cc(C(F)(F)F)ccc1Br ZINC000516353509 1007036546 /nfs/dbraw/zinc/03/65/46/1007036546.db2.gz XPSXJVSVTKARNW-OAHLLOKOSA-N 1 3 409.290 3.794 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000538761870 1007046250 /nfs/dbraw/zinc/04/62/50/1007046250.db2.gz IEHPIEHDVDZIQO-BGYRXZFFSA-N 1 3 410.562 3.980 20 0 HHADHO Cc1cc2ncc([C@@H](C)[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c(C)n2n1 ZINC000538986228 1007280670 /nfs/dbraw/zinc/28/06/70/1007280670.db2.gz PKXNOMOPJHZKBY-OAQYLSRUSA-N 1 3 420.605 3.595 20 0 HHADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1Br ZINC000539063777 1007356501 /nfs/dbraw/zinc/35/65/01/1007356501.db2.gz VDGFOCYQJKBFTG-ZOCIIQOWSA-N 1 3 411.384 3.876 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119366 1007465268 /nfs/dbraw/zinc/46/52/68/1007465268.db2.gz PWRNWGNYBBABJK-GZGNHOFSSA-N 1 3 420.601 3.711 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119366 1007465275 /nfs/dbraw/zinc/46/52/75/1007465275.db2.gz PWRNWGNYBBABJK-GZGNHOFSSA-N 1 3 420.601 3.711 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509469 1007564897 /nfs/dbraw/zinc/56/48/97/1007564897.db2.gz VRKSAMRLYRYRFF-SCLBCKFNSA-N 1 3 400.792 3.705 20 0 HHADHO COc1cc(OC)cc(OCCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393307 1007698894 /nfs/dbraw/zinc/69/88/94/1007698894.db2.gz UGCNGKGTJCGONF-JOCHJYFZSA-N 1 3 412.530 3.660 20 0 HHADHO COc1cc(OC)cc(OCC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000539393307 1007698897 /nfs/dbraw/zinc/69/88/97/1007698897.db2.gz UGCNGKGTJCGONF-JOCHJYFZSA-N 1 3 412.530 3.660 20 0 HHADHO CCC[NH+]1CCC(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000517474138 1007699541 /nfs/dbraw/zinc/69/95/41/1007699541.db2.gz WERATBROMVGCPV-UHFFFAOYSA-N 1 3 404.624 3.521 20 0 HHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(-c2ccncc2)c1 ZINC000539690935 1008009275 /nfs/dbraw/zinc/00/92/75/1008009275.db2.gz YGDMEEKZDOISQC-NLFFAJNJSA-N 1 3 416.569 3.688 20 0 HHADHO CN(C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000533808725 1008127008 /nfs/dbraw/zinc/12/70/08/1008127008.db2.gz DVOVNOZYPUFUTC-DEOSSOPVSA-N 1 3 408.590 3.645 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000539902192 1008173347 /nfs/dbraw/zinc/17/33/47/1008173347.db2.gz ZQHFVSXSXNHBLT-UHFFFAOYSA-N 1 3 420.601 3.866 20 0 HHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCCc3ccc(Br)cc32)ccn1 ZINC000540143219 1008309987 /nfs/dbraw/zinc/30/99/87/1008309987.db2.gz NPGFAHZCSFEVPE-LJQANCHMSA-N 1 3 404.352 3.952 20 0 HHADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466322 1008318863 /nfs/dbraw/zinc/31/88/63/1008318863.db2.gz XBRFSOUJTZNWLK-DEOSSOPVSA-N 1 3 420.601 3.675 20 0 HHADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466322 1008318866 /nfs/dbraw/zinc/31/88/66/1008318866.db2.gz XBRFSOUJTZNWLK-DEOSSOPVSA-N 1 3 420.601 3.675 20 0 HHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000540171897 1008321759 /nfs/dbraw/zinc/32/17/59/1008321759.db2.gz GLINUQJUWBDNGF-YESZJQIVSA-N 1 3 415.500 3.902 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520021 1008335850 /nfs/dbraw/zinc/33/58/50/1008335850.db2.gz QDBTWKCVMRRFFE-ICSRJNTNSA-N 1 3 404.624 3.837 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520021 1008335854 /nfs/dbraw/zinc/33/58/54/1008335854.db2.gz QDBTWKCVMRRFFE-ICSRJNTNSA-N 1 3 404.624 3.837 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950903 1008536355 /nfs/dbraw/zinc/53/63/55/1008536355.db2.gz ZHFDGAMRJFTOOG-OHUGHZGNSA-N 1 3 424.585 3.897 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950903 1008536368 /nfs/dbraw/zinc/53/63/68/1008536368.db2.gz ZHFDGAMRJFTOOG-OHUGHZGNSA-N 1 3 424.585 3.897 20 0 HHADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCCc3c(Br)cccc32)ccn1 ZINC000543113686 1008686412 /nfs/dbraw/zinc/68/64/12/1008686412.db2.gz AFBSRMYTWPVFJE-LJQANCHMSA-N 1 3 404.352 3.952 20 0 HHADHO CCOC(=O)[C@@H]1CC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229417 1008798832 /nfs/dbraw/zinc/79/88/32/1008798832.db2.gz UPLXFXJNHXGNSM-RPBOFIJWSA-N 1 3 422.569 3.915 20 0 HHADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000549229417 1008798845 /nfs/dbraw/zinc/79/88/45/1008798845.db2.gz UPLXFXJNHXGNSM-RPBOFIJWSA-N 1 3 422.569 3.915 20 0 HHADHO c1ccc(C[N@H+]2CCC[C@@H](Nc3ccc4nc(CCN5CCOCC5)[nH]c4c3)C2)cc1 ZINC000543415914 1009008885 /nfs/dbraw/zinc/00/88/85/1009008885.db2.gz UFXGPHRVJFIQEG-JOCHJYFZSA-N 1 3 419.573 3.514 20 0 HHADHO c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4nc(CCN5CCOCC5)[nH]c4c3)C2)cc1 ZINC000543415914 1009008901 /nfs/dbraw/zinc/00/89/01/1009008901.db2.gz UFXGPHRVJFIQEG-JOCHJYFZSA-N 1 3 419.573 3.514 20 0 HHADHO C/C=C/c1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463363 1009051198 /nfs/dbraw/zinc/05/11/98/1009051198.db2.gz KUBWUUJQIOGSQW-ZMMCUDBLSA-N 1 3 402.579 3.711 20 0 HHADHO C/C=C/c1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463363 1009051216 /nfs/dbraw/zinc/05/12/16/1009051216.db2.gz KUBWUUJQIOGSQW-ZMMCUDBLSA-N 1 3 402.579 3.711 20 0 HHADHO C[C@H](CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1cccc(Br)c1 ZINC000543619044 1009225088 /nfs/dbraw/zinc/22/50/88/1009225088.db2.gz XLSJFTWIHVYXMM-GOSISDBHSA-N 1 3 408.428 3.902 20 0 HHADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000543993296 1009592815 /nfs/dbraw/zinc/59/28/15/1009592815.db2.gz VZNJJICWOORZOM-CQSZACIVSA-N 1 3 409.596 3.723 20 0 HHADHO Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000546933995 1009893491 /nfs/dbraw/zinc/89/34/91/1009893491.db2.gz IDURLTIMNVCQKD-UXHICEINSA-N 1 3 417.619 3.945 20 0 HHADHO COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351042 1009977118 /nfs/dbraw/zinc/97/71/18/1009977118.db2.gz NIINLZMQEFOKCM-NBGIEHNGSA-N 1 3 409.574 3.945 20 0 HHADHO COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2)cc1 ZINC000544351042 1009977128 /nfs/dbraw/zinc/97/71/28/1009977128.db2.gz NIINLZMQEFOKCM-NBGIEHNGSA-N 1 3 409.574 3.945 20 0 HHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000521069035 1010086978 /nfs/dbraw/zinc/08/69/78/1010086978.db2.gz YLYTXOIDMYAHCR-UHFFFAOYSA-N 1 3 412.553 3.695 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547502908 1010330473 /nfs/dbraw/zinc/33/04/73/1010330473.db2.gz KUWQYYYJBIIIFB-WQPRPRDESA-N 1 3 403.570 3.644 20 0 HHADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521533580 1010444668 /nfs/dbraw/zinc/44/46/68/1010444668.db2.gz JZBFZHTWOANRDD-HSZRJFAPSA-N 1 3 423.576 3.861 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000521685630 1010549834 /nfs/dbraw/zinc/54/98/34/1010549834.db2.gz ATEQVKYZMAEXQD-BGYRXZFFSA-N 1 3 406.590 3.657 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000521685630 1010549845 /nfs/dbraw/zinc/54/98/45/1010549845.db2.gz ATEQVKYZMAEXQD-BGYRXZFFSA-N 1 3 406.590 3.657 20 0 HHADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCC1 ZINC000521685954 1010549984 /nfs/dbraw/zinc/54/99/84/1010549984.db2.gz ODJIVZSDECUGHH-QGZVFWFLSA-N 1 3 414.516 3.511 20 0 HHADHO O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000521690381 1010553857 /nfs/dbraw/zinc/55/38/57/1010553857.db2.gz NIVGVCRJKYOVBJ-TZIWHRDSSA-N 1 3 409.496 3.528 20 0 HHADHO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548483579 1010641976 /nfs/dbraw/zinc/64/19/76/1010641976.db2.gz NTVDOZVBVNGJNH-SCWSEQNSSA-N 1 3 403.364 3.983 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088614 1010801977 /nfs/dbraw/zinc/80/19/77/1010801977.db2.gz RQAKVUOBNUXRDY-WIYYLYMNSA-N 1 3 400.592 3.562 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088614 1010801985 /nfs/dbraw/zinc/80/19/85/1010801985.db2.gz RQAKVUOBNUXRDY-WIYYLYMNSA-N 1 3 400.592 3.562 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccccc3Oc3ccccc3)CC2)CC1 ZINC000522668390 1011149211 /nfs/dbraw/zinc/14/92/11/1011149211.db2.gz QTPVUYUYTNGPLA-UHFFFAOYSA-N 1 3 422.573 3.837 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763794 1011202586 /nfs/dbraw/zinc/20/25/86/1011202586.db2.gz SYZMLBPWIBBKJS-KPFFTGBYSA-N 1 3 424.511 3.624 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522763794 1011202589 /nfs/dbraw/zinc/20/25/89/1011202589.db2.gz SYZMLBPWIBBKJS-KPFFTGBYSA-N 1 3 424.511 3.624 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155714 1011280757 /nfs/dbraw/zinc/28/07/57/1011280757.db2.gz OLEODYAIDUJFMG-OTUUDDROSA-N 1 3 406.574 3.784 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155714 1011280771 /nfs/dbraw/zinc/28/07/71/1011280771.db2.gz OLEODYAIDUJFMG-OTUUDDROSA-N 1 3 406.574 3.784 20 0 HHADHO Brc1cnc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000541065706 1011704314 /nfs/dbraw/zinc/70/43/14/1011704314.db2.gz SGXJQQZVLOSGRA-UHFFFAOYSA-N 1 3 423.424 3.593 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000536702054 1011871668 /nfs/dbraw/zinc/87/16/68/1011871668.db2.gz AVXOBFQKCWABLT-RUZDIDTESA-N 1 3 406.574 3.887 20 0 HHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000523436577 1011926738 /nfs/dbraw/zinc/92/67/38/1011926738.db2.gz VJETVNCBGCJSIE-UHFFFAOYSA-N 1 3 416.997 3.948 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000541254785 1011937095 /nfs/dbraw/zinc/93/70/95/1011937095.db2.gz IKNCKTMSXZPAPB-CQSZACIVSA-N 1 3 421.607 3.865 20 0 HHADHO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552055599 1012073135 /nfs/dbraw/zinc/07/31/35/1012073135.db2.gz VZWGLHJFUOLDCL-BKXWLNCVSA-N 1 3 408.590 3.778 20 0 HHADHO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000552055601 1012073454 /nfs/dbraw/zinc/07/34/54/1012073454.db2.gz VZWGLHJFUOLDCL-PPWDSJTCSA-N 1 3 408.590 3.778 20 0 HHADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)s1 ZINC000552090928 1012105870 /nfs/dbraw/zinc/10/58/70/1012105870.db2.gz XMFHTJDRJRDGMJ-CBZIJGRNSA-N 1 3 407.628 3.696 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000541662985 1012491792 /nfs/dbraw/zinc/49/17/92/1012491792.db2.gz LLNHPJCXDONIDS-UHFFFAOYSA-N 1 3 408.590 3.518 20 0 HHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c(C)c1C ZINC000552954089 1012940399 /nfs/dbraw/zinc/94/03/99/1012940399.db2.gz VHZZOVUVNHAKDV-VXKWHMMOSA-N 1 3 414.594 3.929 20 0 HHADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCC)c(C)c1C ZINC000552954089 1012940412 /nfs/dbraw/zinc/94/04/12/1012940412.db2.gz VHZZOVUVNHAKDV-VXKWHMMOSA-N 1 3 414.594 3.929 20 0 HHADHO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001126870380 1072858922 /nfs/dbraw/zinc/85/89/22/1072858922.db2.gz RUADQYDYWCAYCI-ODTUPPAISA-N 1 3 421.585 3.763 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228028 1073273455 /nfs/dbraw/zinc/27/34/55/1073273455.db2.gz TVQONZCHQHWFSI-FDTGPBLFSA-N 1 3 402.579 3.895 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228028 1073273457 /nfs/dbraw/zinc/27/34/57/1073273457.db2.gz TVQONZCHQHWFSI-FDTGPBLFSA-N 1 3 402.579 3.895 20 0 HHADHO Cc1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1-c1ccccc1 ZINC000573023854 1074063973 /nfs/dbraw/zinc/06/39/73/1074063973.db2.gz FNMAGCTTWHAJLN-UHFFFAOYSA-N 1 3 407.562 3.737 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001649006124 1074189224 /nfs/dbraw/zinc/18/92/24/1074189224.db2.gz YAZOCSYFEHLKOF-JOCHJYFZSA-N 1 3 406.618 3.755 20 0 HHADHO CS(=O)(=O)Nc1cccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000592464488 1074761341 /nfs/dbraw/zinc/76/13/41/1074761341.db2.gz VUAOYNREUPYQJE-UHFFFAOYSA-N 1 3 421.994 3.713 20 0 HHADHO O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000593829938 1075229332 /nfs/dbraw/zinc/22/93/32/1075229332.db2.gz GDVRIJRWALGJFO-CTNGQTDRSA-N 1 3 409.496 3.528 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001165023253 721830671 /nfs/dbraw/zinc/83/06/71/721830671.db2.gz IKUTVQXIBBTPTN-FGCOXFRFSA-N 1 3 405.590 3.809 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001165023253 721830672 /nfs/dbraw/zinc/83/06/72/721830672.db2.gz IKUTVQXIBBTPTN-FGCOXFRFSA-N 1 3 405.590 3.809 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000301388034 970901143 /nfs/dbraw/zinc/90/11/43/970901143.db2.gz DLGMTVCRYIKDLL-SFHVURJKSA-N 1 3 417.395 3.830 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000301388034 970901148 /nfs/dbraw/zinc/90/11/48/970901148.db2.gz DLGMTVCRYIKDLL-SFHVURJKSA-N 1 3 417.395 3.830 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000542141518 1013075705 /nfs/dbraw/zinc/07/57/05/1013075705.db2.gz XMNKEOFPCUSUIC-CQSZACIVSA-N 1 3 409.596 3.721 20 0 HHADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000303078959 971492325 /nfs/dbraw/zinc/49/23/25/971492325.db2.gz SURYOJTUOKFRSE-UPVQGACJSA-N 1 3 409.549 3.991 20 0 HHADHO CCN1CCN(c2ccc(C(=O)Nc3ccccc3OCC[NH+](CC)CC)cc2)CC1 ZINC000303591939 971884699 /nfs/dbraw/zinc/88/46/99/971884699.db2.gz VJKGCTVUMIMKEV-UHFFFAOYSA-N 1 3 424.589 3.801 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000537621853 1013167082 /nfs/dbraw/zinc/16/70/82/1013167082.db2.gz JHYRFADUOQPVCO-PXDATVDWSA-N 1 3 421.633 3.683 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000537621853 1013167095 /nfs/dbraw/zinc/16/70/95/1013167095.db2.gz JHYRFADUOQPVCO-PXDATVDWSA-N 1 3 421.633 3.683 20 0 HHADHO COc1cccc(-c2nn(C(C)(C)C)cc2CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000537630949 1013183946 /nfs/dbraw/zinc/18/39/46/1013183946.db2.gz JBAMISBUCIPDNA-UHFFFAOYSA-N 1 3 414.594 3.856 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)cc4c(C)c(C)[nH]c43)CC2)CC1 ZINC000553383093 1013316720 /nfs/dbraw/zinc/31/67/20/1013316720.db2.gz DHCCSWBJYBOUJT-UHFFFAOYSA-N 1 3 410.606 3.906 20 0 HHADHO COc1cc(NCC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc(OC)c1 ZINC000553469692 1013377742 /nfs/dbraw/zinc/37/77/42/1013377742.db2.gz ZIZSDVFWMMGCDZ-JOCHJYFZSA-N 1 3 411.546 3.694 20 0 HHADHO COc1cc(NCCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc(OC)c1 ZINC000553469692 1013377753 /nfs/dbraw/zinc/37/77/53/1013377753.db2.gz ZIZSDVFWMMGCDZ-JOCHJYFZSA-N 1 3 411.546 3.694 20 0 HHADHO CCCCO[C@@H]1C[C@H](N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1(C)C ZINC000553497010 1013398764 /nfs/dbraw/zinc/39/87/64/1013398764.db2.gz JWGASAKRVAGNDB-FCHUYYIVSA-N 1 3 407.643 3.625 20 0 HHADHO CN(c1ccccc1)c1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798017 964400174 /nfs/dbraw/zinc/40/01/74/964400174.db2.gz ZTMPQJUNMBWAPW-UHFFFAOYSA-N 1 3 406.574 3.743 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219984 966078282 /nfs/dbraw/zinc/07/82/82/966078282.db2.gz QFAYVWLZYNVQBC-DEOSSOPVSA-N 1 3 418.585 3.842 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)cc2)CC1 ZINC000060219984 966078293 /nfs/dbraw/zinc/07/82/93/966078293.db2.gz QFAYVWLZYNVQBC-DEOSSOPVSA-N 1 3 418.585 3.842 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4Br)cc2)CC1 ZINC000538062699 1013639099 /nfs/dbraw/zinc/63/90/99/1013639099.db2.gz UPVOIIYUJYXHGM-QFIPXVFZSA-N 1 3 414.391 3.974 20 0 HHADHO O=C(NCC1(N2CCSCC2)CCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528614 966698200 /nfs/dbraw/zinc/69/82/00/966698200.db2.gz HLLAVNXIHMHXER-UHFFFAOYSA-N 1 3 422.683 3.692 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063150777 966764118 /nfs/dbraw/zinc/76/41/18/966764118.db2.gz IXAOSUSJYPVAEZ-WOJBJXKFSA-N 1 3 416.679 3.872 20 0 HHADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CCC(Cc2ccccc2)CC1 ZINC000538218381 1013769857 /nfs/dbraw/zinc/76/98/57/1013769857.db2.gz WHLOCGJYLVPCGL-DHIUTWEWSA-N 1 3 406.636 3.667 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627912 969049260 /nfs/dbraw/zinc/04/92/60/969049260.db2.gz NVKHLMXAAPLNFE-QFIPXVFZSA-N 1 3 406.574 3.679 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000096627912 969049276 /nfs/dbraw/zinc/04/92/76/969049276.db2.gz NVKHLMXAAPLNFE-QFIPXVFZSA-N 1 3 406.574 3.679 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000109898200 969588944 /nfs/dbraw/zinc/58/89/44/969588944.db2.gz SMBKZLACBFYIQO-UHFFFAOYSA-N 1 3 420.601 3.743 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)CC1 ZINC000109900461 969590077 /nfs/dbraw/zinc/59/00/77/969590077.db2.gz GQODJFHTXIWWKZ-UHFFFAOYSA-N 1 3 412.622 3.601 20 0 HHADHO CC1CC[NH+](CCCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110174590 969632837 /nfs/dbraw/zinc/63/28/37/969632837.db2.gz BJPTYQQRZHHCBN-OAQYLSRUSA-N 1 3 411.512 3.679 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236849864 970180350 /nfs/dbraw/zinc/18/03/50/970180350.db2.gz LGQJSOJWJRAMAW-OAQYLSRUSA-N 1 3 403.574 3.655 20 0 HHADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144274059 970226940 /nfs/dbraw/zinc/22/69/40/970226940.db2.gz CXLHVEAEIWXZIZ-SFHVURJKSA-N 1 3 414.516 3.511 20 0 HHADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000144274059 970226947 /nfs/dbraw/zinc/22/69/47/970226947.db2.gz CXLHVEAEIWXZIZ-SFHVURJKSA-N 1 3 414.516 3.511 20 0 HHADHO COC(=O)COc1c(C)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237187484 970238057 /nfs/dbraw/zinc/23/80/57/970238057.db2.gz XAYAEQOXBCKHGF-NZQKXSOJSA-N 1 3 410.558 3.998 20 0 HHADHO COC(=O)COc1c(C)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000237187484 970238059 /nfs/dbraw/zinc/23/80/59/970238059.db2.gz XAYAEQOXBCKHGF-NZQKXSOJSA-N 1 3 410.558 3.998 20 0 HHADHO COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237255904 970249412 /nfs/dbraw/zinc/24/94/12/970249412.db2.gz ZEGORRQVILNCBH-JOCHJYFZSA-N 1 3 417.553 3.836 20 0 HHADHO COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc12 ZINC000237255904 970249425 /nfs/dbraw/zinc/24/94/25/970249425.db2.gz ZEGORRQVILNCBH-JOCHJYFZSA-N 1 3 417.553 3.836 20 0 HHADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@@H]3CCN(Cc4ccccc4)C3)c2cc1C ZINC000554540720 1013974036 /nfs/dbraw/zinc/97/40/36/1013974036.db2.gz FMGXGZHMWJYQCE-YMPZKCBVSA-N 1 3 406.574 3.514 20 0 HHADHO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237608923 970322365 /nfs/dbraw/zinc/32/23/65/970322365.db2.gz VYDHIETWLMNESR-HDICACEKSA-N 1 3 404.986 3.872 20 0 HHADHO O=c1ccccn1Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000238061208 970430697 /nfs/dbraw/zinc/43/06/97/970430697.db2.gz UHGAYNKBMRPCLZ-UHFFFAOYSA-N 1 3 417.553 3.661 20 0 HHADHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000195606778 970548931 /nfs/dbraw/zinc/54/89/31/970548931.db2.gz WAANTTQRXPERKN-ZEQRLZLVSA-N 1 3 406.574 3.787 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000252166281 970554969 /nfs/dbraw/zinc/55/49/69/970554969.db2.gz QMXLEQNZNWBPTF-FUPPJEDESA-N 1 3 400.611 3.881 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000252166281 970554980 /nfs/dbraw/zinc/55/49/80/970554980.db2.gz QMXLEQNZNWBPTF-FUPPJEDESA-N 1 3 400.611 3.881 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)cc2)CC1 ZINC000261414813 970662459 /nfs/dbraw/zinc/66/24/59/970662459.db2.gz BFCSGFWWTHCEKN-UHFFFAOYSA-N 1 3 424.589 3.800 20 0 HHADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000410310292 973852821 /nfs/dbraw/zinc/85/28/21/973852821.db2.gz IOJPIYDKUDDKMH-RUZDIDTESA-N 1 3 420.601 3.657 20 0 HHADHO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426769391 974645947 /nfs/dbraw/zinc/64/59/47/974645947.db2.gz ILXBTJANDXYMPU-QZTJIDSGSA-N 1 3 405.558 3.674 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000426802840 974672241 /nfs/dbraw/zinc/67/22/41/974672241.db2.gz YDJSHRGFCKJGST-HDICACEKSA-N 1 3 407.986 3.880 20 0 HHADHO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000428243763 975559513 /nfs/dbraw/zinc/55/95/13/975559513.db2.gz UPEIXSMZLXRGCV-OPBMBUAESA-N 1 3 407.606 3.669 20 0 HHADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428548949 975858769 /nfs/dbraw/zinc/85/87/69/975858769.db2.gz RNYUATYRPAWVDR-UHFFFAOYSA-N 1 3 408.995 3.991 20 0 HHADHO C[C@H]1CN(CCC2CCN(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933766 976233865 /nfs/dbraw/zinc/23/38/65/976233865.db2.gz VFCMUJAACUYTTP-SFTDATJTSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@H]1CN(CCC2CCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000428933766 976233873 /nfs/dbraw/zinc/23/38/73/976233873.db2.gz VFCMUJAACUYTTP-SFTDATJTSA-N 1 3 422.658 3.562 20 0 HHADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000429501192 976757397 /nfs/dbraw/zinc/75/73/97/976757397.db2.gz HPDLNLBBPBVNTG-QHCPKHFHSA-N 1 3 412.622 3.729 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854703 978553834 /nfs/dbraw/zinc/55/38/34/978553834.db2.gz PNHLMOJJVBMSQL-TXTKFYIRSA-N 1 3 405.627 3.521 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854703 978553842 /nfs/dbraw/zinc/55/38/42/978553842.db2.gz PNHLMOJJVBMSQL-TXTKFYIRSA-N 1 3 405.627 3.521 20 0 HHADHO CC[C@]1(CO)CCCN(Cc2cc(C[N@@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792089 978975581 /nfs/dbraw/zinc/97/55/81/978975581.db2.gz IOTQZQONHMPDTR-DQEYMECFSA-N 1 3 418.622 3.664 20 0 HHADHO CC[C@]1(CO)CCCN(Cc2cc(C[N@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792089 978975586 /nfs/dbraw/zinc/97/55/86/978975586.db2.gz IOTQZQONHMPDTR-DQEYMECFSA-N 1 3 418.622 3.664 20 0 HHADHO CN(C)Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000433014538 979042208 /nfs/dbraw/zinc/04/22/08/979042208.db2.gz SLTGJFXMLRLJNS-UHFFFAOYSA-N 1 3 415.603 3.603 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433288353 979217955 /nfs/dbraw/zinc/21/79/55/979217955.db2.gz NIJZJQVIMZSMLU-HXUWFJFHSA-N 1 3 408.428 3.730 20 0 HHADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433288353 979217957 /nfs/dbraw/zinc/21/79/57/979217957.db2.gz NIJZJQVIMZSMLU-HXUWFJFHSA-N 1 3 408.428 3.730 20 0 HHADHO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1)CC(C)C ZINC000433870873 979639139 /nfs/dbraw/zinc/63/91/39/979639139.db2.gz SVFHGJLZOZEGHC-UHFFFAOYSA-N 1 3 409.640 3.517 20 0 HHADHO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1)CC(C)C ZINC000433870873 979639149 /nfs/dbraw/zinc/63/91/49/979639149.db2.gz SVFHGJLZOZEGHC-UHFFFAOYSA-N 1 3 409.640 3.517 20 0 HHADHO CN(C)C(=O)CC[NH+]1CCC(Nc2ccnc3ccc(Oc4ccccc4)cc32)CC1 ZINC000434097344 979846890 /nfs/dbraw/zinc/84/68/90/979846890.db2.gz GRESRPWKKLGQCJ-UHFFFAOYSA-N 1 3 418.541 3.804 20 0 HHADHO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(CN(C)C)c1 ZINC000434357546 980113160 /nfs/dbraw/zinc/11/31/60/980113160.db2.gz CCPFLPYXDMVKDE-HSZRJFAPSA-N 1 3 417.557 3.952 20 0 HHADHO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc(CN(C)C)c1 ZINC000434357546 980113164 /nfs/dbraw/zinc/11/31/64/980113164.db2.gz CCPFLPYXDMVKDE-HSZRJFAPSA-N 1 3 417.557 3.952 20 0 HHADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449239 980188681 /nfs/dbraw/zinc/18/86/81/980188681.db2.gz WOOWLAYYNVOHOL-PZJWPPBQSA-N 1 3 409.496 3.574 20 0 HHADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449239 980188683 /nfs/dbraw/zinc/18/86/83/980188683.db2.gz WOOWLAYYNVOHOL-PZJWPPBQSA-N 1 3 409.496 3.574 20 0 HHADHO Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435520935 980916969 /nfs/dbraw/zinc/91/69/69/980916969.db2.gz UJVPOFRPNJTTKC-QFIPXVFZSA-N 1 3 424.593 3.636 20 0 HHADHO Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435527168 980920798 /nfs/dbraw/zinc/92/07/98/980920798.db2.gz KUKNVGGZCLIQJV-JOCHJYFZSA-N 1 3 424.593 3.633 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218261 981632911 /nfs/dbraw/zinc/63/29/11/981632911.db2.gz UFWQRWWQCNXZIV-IOMROCGXSA-N 1 3 404.624 3.789 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218261 981632914 /nfs/dbraw/zinc/63/29/14/981632914.db2.gz UFWQRWWQCNXZIV-IOMROCGXSA-N 1 3 404.624 3.789 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448467825 981804374 /nfs/dbraw/zinc/80/43/74/981804374.db2.gz RRYWRGSSIYFOQN-PUHATCMVSA-N 1 3 400.611 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)[C@H](C)C1 ZINC000448467825 981804387 /nfs/dbraw/zinc/80/43/87/981804387.db2.gz RRYWRGSSIYFOQN-PUHATCMVSA-N 1 3 400.611 3.831 20 0 HHADHO Cc1ccc2cc(CNCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)ccc2n1 ZINC000437783341 982353634 /nfs/dbraw/zinc/35/36/34/982353634.db2.gz ZYKRKKFBJULHNT-UHFFFAOYSA-N 1 3 402.542 3.659 20 0 HHADHO C[C@@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000438090119 982582344 /nfs/dbraw/zinc/58/23/44/982582344.db2.gz AOZSYAQGOFJBKM-FQEVSTJZSA-N 1 3 411.565 3.889 20 0 HHADHO C[C@H](CSCc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000438542801 982881179 /nfs/dbraw/zinc/88/11/79/982881179.db2.gz VSGJGMDCVCGKTA-HXUWFJFHSA-N 1 3 403.636 3.622 20 0 HHADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000461399669 983069944 /nfs/dbraw/zinc/06/99/44/983069944.db2.gz BWLZKSZZJYCNRS-UHFFFAOYSA-N 1 3 403.615 3.723 20 0 HHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438864270 983129730 /nfs/dbraw/zinc/12/97/30/983129730.db2.gz JOCLGXNKGOIQAE-SIKLNZKXSA-N 1 3 401.599 3.561 20 0 HHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438864270 983129733 /nfs/dbraw/zinc/12/97/33/983129733.db2.gz JOCLGXNKGOIQAE-SIKLNZKXSA-N 1 3 401.599 3.561 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000438977048 983190940 /nfs/dbraw/zinc/19/09/40/983190940.db2.gz SENSRXLBPBHSOY-RDPSFJRHSA-N 1 3 421.589 3.743 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000440181612 983672820 /nfs/dbraw/zinc/67/28/20/983672820.db2.gz BRGKHSZQJZFRAU-NRFANRHFSA-N 1 3 423.605 3.689 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1(C)C ZINC000441349744 984201275 /nfs/dbraw/zinc/20/12/75/984201275.db2.gz SZIAJNJPSGQFFK-UHFFFAOYSA-N 1 3 409.603 3.716 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980529 985625355 /nfs/dbraw/zinc/62/53/55/985625355.db2.gz ZCIXFDIJGGGPMO-GMAHTHKFSA-N 1 3 413.606 3.706 20 0 HHADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000467980529 985625365 /nfs/dbraw/zinc/62/53/65/985625365.db2.gz ZCIXFDIJGGGPMO-GMAHTHKFSA-N 1 3 413.606 3.706 20 0 HHADHO CN(C)CCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751021 985692114 /nfs/dbraw/zinc/69/21/14/985692114.db2.gz STFNPJPPSPSYMV-JOCHJYFZSA-N 1 3 400.611 3.805 20 0 HHADHO CN(C)CCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000462751021 985692123 /nfs/dbraw/zinc/69/21/23/985692123.db2.gz STFNPJPPSPSYMV-JOCHJYFZSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596224 985773314 /nfs/dbraw/zinc/77/33/14/985773314.db2.gz VUEAUDUSLKLSOM-FQEVSTJZSA-N 1 3 410.606 3.803 20 0 HHADHO CN(c1ccccc1CN1CCC(c2noc(C3CC3)n2)CC1)C1CC[NH+](C)CC1 ZINC000463062176 986018783 /nfs/dbraw/zinc/01/87/83/986018783.db2.gz NXEDBNKKKQJBRG-UHFFFAOYSA-N 1 3 409.578 3.857 20 0 HHADHO C[C@H]1CN(Cc2cccc(C[NH2+]C3CCN(CCc4ccccc4)CC3)c2)CCO1 ZINC000463080858 986038500 /nfs/dbraw/zinc/03/85/00/986038500.db2.gz GZDCDLQHKMQZFD-QFIPXVFZSA-N 1 3 407.602 3.704 20 0 HHADHO C[C@H]1CN(Cc2cccc(CNC3CC[NH+](CCc4ccccc4)CC3)c2)CCO1 ZINC000463080858 986038506 /nfs/dbraw/zinc/03/85/06/986038506.db2.gz GZDCDLQHKMQZFD-QFIPXVFZSA-N 1 3 407.602 3.704 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000463123555 986087799 /nfs/dbraw/zinc/08/77/99/986087799.db2.gz KCFGBCIMJOIXGM-GBXCKJPGSA-N 1 3 405.602 3.559 20 0 HHADHO Cc1nc(CN2CCC(C[NH2+]C3CCN(CCc4ccccc4)CC3)CC2)oc1C ZINC000463153945 986125192 /nfs/dbraw/zinc/12/51/92/986125192.db2.gz XNXNGXUOYRZWNZ-UHFFFAOYSA-N 1 3 410.606 3.800 20 0 HHADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CCN1Cc1ccccc1 ZINC000463244828 986212703 /nfs/dbraw/zinc/21/27/03/986212703.db2.gz YZRHPLGTLMCMEI-RCXJIHSJSA-N 1 3 407.602 3.920 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)CCO1 ZINC000463307717 986274896 /nfs/dbraw/zinc/27/48/96/986274896.db2.gz YXYQLPRCDOGRNK-GKBKNJALSA-N 1 3 406.574 3.592 20 0 HHADHO C[C@@H]([NH2+]C1(CN[C@@H](C)Cn2cc(Br)cn2)CCOCC1)c1ccccc1 ZINC000468940110 986644511 /nfs/dbraw/zinc/64/45/11/986644511.db2.gz JEXBZBWXYSQZQI-DLBZAZTESA-N 1 3 421.383 3.524 20 0 HHADHO C[C@H](Cn1cc(Br)cn1)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000468940377 986644925 /nfs/dbraw/zinc/64/49/25/986644925.db2.gz JEXBZBWXYSQZQI-IAGOWNOFSA-N 1 3 421.383 3.524 20 0 HHADHO O=C(CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596572 986783566 /nfs/dbraw/zinc/78/35/66/986783566.db2.gz LNTJLTNERYZJRI-HHHXNRCGSA-N 1 3 417.597 3.950 20 0 HHADHO O=C(CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596572 986783581 /nfs/dbraw/zinc/78/35/81/986783581.db2.gz LNTJLTNERYZJRI-HHHXNRCGSA-N 1 3 417.597 3.950 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522177 987197848 /nfs/dbraw/zinc/19/78/48/987197848.db2.gz OSSKTXKJDNBDDQ-FCHUYYIVSA-N 1 3 412.622 3.555 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC000469522177 987197855 /nfs/dbraw/zinc/19/78/55/987197855.db2.gz OSSKTXKJDNBDDQ-FCHUYYIVSA-N 1 3 412.622 3.555 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)[C@H](C)C1 ZINC000469784927 987430798 /nfs/dbraw/zinc/43/07/98/987430798.db2.gz DNHNWZJIJYOGLL-YSTOQKLRSA-N 1 3 407.624 3.527 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000469791558 987435802 /nfs/dbraw/zinc/43/58/02/987435802.db2.gz PSDPOYLFPMSDFL-IKVWTGGYSA-N 1 3 410.002 3.632 20 0 HHADHO COc1cccc(N2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2=O)c1 ZINC000470171999 988087828 /nfs/dbraw/zinc/08/78/28/988087828.db2.gz QYNZQNPKRIYUNQ-AADSMUJASA-N 1 3 405.542 3.586 20 0 HHADHO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000464752493 988973870 /nfs/dbraw/zinc/97/38/70/988973870.db2.gz QIXYUJPVERVANL-LJQANCHMSA-N 1 3 416.610 3.530 20 0 HHADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211046 989560456 /nfs/dbraw/zinc/56/04/56/989560456.db2.gz OAUIXOURIFTMTH-TZIWHRDSSA-N 1 3 411.512 3.535 20 0 HHADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000465211046 989560459 /nfs/dbraw/zinc/56/04/59/989560459.db2.gz OAUIXOURIFTMTH-TZIWHRDSSA-N 1 3 411.512 3.535 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc(OC)c1 ZINC000465491653 989839504 /nfs/dbraw/zinc/83/95/04/989839504.db2.gz VCKBLSUAHDTAHA-IFMALSPDSA-N 1 3 404.599 3.594 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cccc(OC)c1 ZINC000465491653 989839515 /nfs/dbraw/zinc/83/95/15/989839515.db2.gz VCKBLSUAHDTAHA-IFMALSPDSA-N 1 3 404.599 3.594 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000465586783 989961715 /nfs/dbraw/zinc/96/17/15/989961715.db2.gz BWLVBMQECPLPHQ-JOCHJYFZSA-N 1 3 400.611 3.805 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000465727257 990112497 /nfs/dbraw/zinc/11/24/97/990112497.db2.gz OYXYQOCJJPHJNB-PMACEKPBSA-N 1 3 424.511 3.744 20 0 HHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)Cc1ccccc1 ZINC000465755246 990141565 /nfs/dbraw/zinc/14/15/65/990141565.db2.gz OCKJGEWIGVKNPW-DEOSSOPVSA-N 1 3 408.590 3.672 20 0 HHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)Cc1ccccc1 ZINC000465755246 990141570 /nfs/dbraw/zinc/14/15/70/990141570.db2.gz OCKJGEWIGVKNPW-DEOSSOPVSA-N 1 3 408.590 3.672 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466224018 991443843 /nfs/dbraw/zinc/44/38/43/991443843.db2.gz YRHPQBYZZKGBLS-SQJMNOBHSA-N 1 3 420.601 3.656 20 0 HHADHO Cc1ccc(NC(=O)c2oc3ccccc3c2CN(C)C)cc1NC(=O)CC[NH+](C)C ZINC000466271140 991516718 /nfs/dbraw/zinc/51/67/18/991516718.db2.gz NHKSBRFQYPEHGA-UHFFFAOYSA-N 1 3 422.529 3.945 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285476 991533253 /nfs/dbraw/zinc/53/32/53/991533253.db2.gz FTCFTMWJWQLEON-NRFANRHFSA-N 1 3 413.610 3.523 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)c(C)c2)CC1 ZINC000466285476 991533268 /nfs/dbraw/zinc/53/32/68/991533268.db2.gz FTCFTMWJWQLEON-NRFANRHFSA-N 1 3 413.610 3.523 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000466525165 991820936 /nfs/dbraw/zinc/82/09/36/991820936.db2.gz GIJQWQRWPMPMAT-XUZZJYLKSA-N 1 3 420.601 3.955 20 0 HHADHO CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472291956 993307552 /nfs/dbraw/zinc/30/75/52/993307552.db2.gz ALZQSSXIVSPJRX-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472291956 993307560 /nfs/dbraw/zinc/30/75/60/993307560.db2.gz ALZQSSXIVSPJRX-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366133 993363108 /nfs/dbraw/zinc/36/31/08/993363108.db2.gz HTRCBRLAFLGSRB-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366133 993363116 /nfs/dbraw/zinc/36/31/16/993363116.db2.gz HTRCBRLAFLGSRB-RCZVLFRGSA-N 1 3 420.601 3.815 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000472454909 993457822 /nfs/dbraw/zinc/45/78/22/993457822.db2.gz JDPBRYKIAACCJD-UHFFFAOYSA-N 1 3 418.548 3.555 20 0 HHADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000480897584 993755425 /nfs/dbraw/zinc/75/54/25/993755425.db2.gz LKIGWFJVQHWXKC-SFHVURJKSA-N 1 3 406.574 3.515 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000480904689 993760678 /nfs/dbraw/zinc/76/06/78/993760678.db2.gz YITSPHCBWNHDQD-KNQAVFIVSA-N 1 3 410.562 3.561 20 0 HHADHO COc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000473023734 993943367 /nfs/dbraw/zinc/94/33/67/993943367.db2.gz ODQCZDRWCKNFMX-JOCHJYFZSA-N 1 3 416.610 3.640 20 0 HHADHO Cc1cccc(CCC[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000481107206 993943957 /nfs/dbraw/zinc/94/39/57/993943957.db2.gz AIAOHMBANQQVPR-UHFFFAOYSA-N 1 3 407.602 3.888 20 0 HHADHO COc1ccc(-c2nc3c(s2)[C@H](NCCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000481176801 994007620 /nfs/dbraw/zinc/00/76/20/994007620.db2.gz SJHWZDIPLDYRTQ-LJQANCHMSA-N 1 3 401.576 3.633 20 0 HHADHO C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000481263125 994082574 /nfs/dbraw/zinc/08/25/74/994082574.db2.gz RXEDDLQBRUUDJE-AWEZNQCLSA-N 1 3 407.331 3.586 20 0 HHADHO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000481289081 994105293 /nfs/dbraw/zinc/10/52/93/994105293.db2.gz TYUJUMBBALRYJK-UHFFFAOYSA-N 1 3 401.599 3.558 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000481308382 994125185 /nfs/dbraw/zinc/12/51/85/994125185.db2.gz LFMCLVYNIIQFMT-PXDATVDWSA-N 1 3 422.617 3.871 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000481320297 994140462 /nfs/dbraw/zinc/14/04/62/994140462.db2.gz ZLXJZOBMLSZSPP-QFIPXVFZSA-N 1 3 418.589 3.516 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000481321914 994141629 /nfs/dbraw/zinc/14/16/29/994141629.db2.gz YOQXJXQYJVHTLQ-ONOMSOESSA-N 1 3 413.631 3.673 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)c2)CC1 ZINC000481331359 994149911 /nfs/dbraw/zinc/14/99/11/994149911.db2.gz PFDAAOAQHRJVIA-HYBUGGRVSA-N 1 3 423.605 3.950 20 0 HHADHO C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000481559365 994393604 /nfs/dbraw/zinc/39/36/04/994393604.db2.gz FQEZTGXWFXHUOX-JPYJTQIMSA-N 1 3 411.546 3.595 20 0 HHADHO CC[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674033 994533783 /nfs/dbraw/zinc/53/37/83/994533783.db2.gz VKQHTYJEMFGUPE-FUHWJXTLSA-N 1 3 404.020 3.655 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000481714764 994575955 /nfs/dbraw/zinc/57/59/55/994575955.db2.gz HEAKCMWMHAMRKZ-LJQANCHMSA-N 1 3 415.603 3.822 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c2)CC1 ZINC000473827123 994756944 /nfs/dbraw/zinc/75/69/44/994756944.db2.gz HEFULTRMYRKIEM-SFTDATJTSA-N 1 3 415.626 3.708 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N(CC[NH+](C)C)Cc3cccc(C)c3)c2)CC1 ZINC000473832514 994764136 /nfs/dbraw/zinc/76/41/36/994764136.db2.gz VTAFAZIAMLBGOW-UHFFFAOYSA-N 1 3 423.605 3.733 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071961 995058188 /nfs/dbraw/zinc/05/81/88/995058188.db2.gz HNUHIAPUOJZSOV-HYBUGGRVSA-N 1 3 421.585 3.905 20 0 HHADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474071961 995058200 /nfs/dbraw/zinc/05/82/00/995058200.db2.gz HNUHIAPUOJZSOV-HYBUGGRVSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Br ZINC000482111887 995059593 /nfs/dbraw/zinc/05/95/93/995059593.db2.gz FIBHGOIQJGDNTI-INIZCTEOSA-N 1 3 421.358 3.846 20 0 HHADHO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000482545832 995554363 /nfs/dbraw/zinc/55/43/63/995554363.db2.gz ZZSIUXHJRJQHRJ-NFBKMPQASA-N 1 3 409.574 3.812 20 0 HHADHO Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000482625373 995620119 /nfs/dbraw/zinc/62/01/19/995620119.db2.gz CSDAHISCHSYPLH-WOJBJXKFSA-N 1 3 417.619 3.945 20 0 HHADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475018141 995873641 /nfs/dbraw/zinc/87/36/41/995873641.db2.gz RBANMOBKEQJVDI-DEOSSOPVSA-N 1 3 406.574 3.698 20 0 HHADHO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475128092 995940522 /nfs/dbraw/zinc/94/05/22/995940522.db2.gz DWEDFYOKROKNCX-RUZDIDTESA-N 1 3 420.601 3.815 20 0 HHADHO Brc1cnn(CCCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000475214668 996001583 /nfs/dbraw/zinc/00/15/83/996001583.db2.gz QQELQMIWDSYGQA-CEWLAPEOSA-N 1 3 417.395 3.926 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266037 996033986 /nfs/dbraw/zinc/03/39/86/996033986.db2.gz CZXFPSWHFRSMNP-NQHRYMMQSA-N 1 3 420.601 3.955 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266037 996033989 /nfs/dbraw/zinc/03/39/89/996033989.db2.gz CZXFPSWHFRSMNP-NQHRYMMQSA-N 1 3 420.601 3.955 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4cc(-c5ccccc5)oc4C3)CC2)CC1 ZINC000475316182 996065974 /nfs/dbraw/zinc/06/59/74/996065974.db2.gz KYGLXDACBGHROG-UHFFFAOYSA-N 1 3 422.573 3.573 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483484265 996210842 /nfs/dbraw/zinc/21/08/42/996210842.db2.gz IZQHNRFOFAAMBS-VTZPFEBOSA-N 1 3 412.549 3.690 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483484265 996210844 /nfs/dbraw/zinc/21/08/44/996210844.db2.gz IZQHNRFOFAAMBS-VTZPFEBOSA-N 1 3 412.549 3.690 20 0 HHADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476011484 996540176 /nfs/dbraw/zinc/54/01/76/996540176.db2.gz OXPDSARQDBCSNI-UHFFFAOYSA-N 1 3 404.574 3.696 20 0 HHADHO CC[C@@H](CN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000476954616 997570870 /nfs/dbraw/zinc/57/08/70/997570870.db2.gz RUCNEJSOMFEHBH-FQEVSTJZSA-N 1 3 400.611 3.770 20 0 HHADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000485260440 997652358 /nfs/dbraw/zinc/65/23/58/997652358.db2.gz NFRDPBKZVBAONJ-DENIHFKCSA-N 1 3 412.578 3.920 20 0 HHADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2CCC1CC2)c1ccc(C(F)(F)F)cc1 ZINC000485347142 997767464 /nfs/dbraw/zinc/76/74/64/997767464.db2.gz NLEVMZNNEIBSAJ-LJQANCHMSA-N 1 3 412.500 3.578 20 0 HHADHO C[C@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000478728849 999111142 /nfs/dbraw/zinc/11/11/42/999111142.db2.gz YKODZBWJEFXKQF-GBXCKJPGSA-N 1 3 406.574 3.745 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000487562312 999213855 /nfs/dbraw/zinc/21/38/55/999213855.db2.gz GQDMDWJTFRBXMQ-UHFFFAOYSA-N 1 3 422.617 3.729 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073726 999280974 /nfs/dbraw/zinc/28/09/74/999280974.db2.gz YEJFYKRXEYOGRM-QRWLVFNGSA-N 1 3 412.391 3.903 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461065 999427474 /nfs/dbraw/zinc/42/74/74/999427474.db2.gz BESVVLJZTVNNRF-QUCCMNQESA-N 1 3 401.576 3.621 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461065 999427477 /nfs/dbraw/zinc/42/74/77/999427477.db2.gz BESVVLJZTVNNRF-QUCCMNQESA-N 1 3 401.576 3.621 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084136 999712661 /nfs/dbraw/zinc/71/26/61/999712661.db2.gz JBCHWHGXEIDUHI-NIJXNBFTSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084136 999712663 /nfs/dbraw/zinc/71/26/63/999712663.db2.gz JBCHWHGXEIDUHI-NIJXNBFTSA-N 1 3 411.565 3.699 20 0 HHADHO Cc1ccccc1[C@H](CC(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000489226824 999726303 /nfs/dbraw/zinc/72/63/03/999726303.db2.gz SDKWNDDIZHOHPY-QHCPKHFHSA-N 1 3 400.611 3.940 20 0 HHADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000480142158 999728879 /nfs/dbraw/zinc/72/88/79/999728879.db2.gz DWPRXTNDQIKKID-GOSISDBHSA-N 1 3 403.592 3.630 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000489400162 999759316 /nfs/dbraw/zinc/75/93/16/999759316.db2.gz JNFCOBFDGSOLCC-ZTCOLXNVSA-N 1 3 408.590 3.808 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000489400162 999759317 /nfs/dbraw/zinc/75/93/17/999759317.db2.gz JNFCOBFDGSOLCC-ZTCOLXNVSA-N 1 3 408.590 3.808 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498778 999778941 /nfs/dbraw/zinc/77/89/41/999778941.db2.gz REMJPEQQLQHVHZ-PXDATVDWSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498778 999778943 /nfs/dbraw/zinc/77/89/43/999778943.db2.gz REMJPEQQLQHVHZ-PXDATVDWSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616793 999803557 /nfs/dbraw/zinc/80/35/57/999803557.db2.gz ARDKUXQWLKECMB-LGVFNWMJSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616793 999803558 /nfs/dbraw/zinc/80/35/58/999803558.db2.gz ARDKUXQWLKECMB-LGVFNWMJSA-N 1 3 408.590 3.717 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612506 999841008 /nfs/dbraw/zinc/84/10/08/999841008.db2.gz PCVCLOQGRHLGNT-OALUTQOASA-N 1 3 415.603 3.677 20 0 HHADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000480612506 999841010 /nfs/dbraw/zinc/84/10/10/999841010.db2.gz PCVCLOQGRHLGNT-OALUTQOASA-N 1 3 415.603 3.677 20 0 HHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000480665494 999854455 /nfs/dbraw/zinc/85/44/55/999854455.db2.gz XRKJYAGWVILVSE-OYRHEFFESA-N 1 3 410.606 3.932 20 0 HHADHO COCCN(C)c1ccc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1 ZINC000480665494 999854457 /nfs/dbraw/zinc/85/44/57/999854457.db2.gz XRKJYAGWVILVSE-OYRHEFFESA-N 1 3 410.606 3.932 20 0 HHADHO COc1ccc([C@@H]([NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c2ccccc2)cc1 ZINC000490129034 999897254 /nfs/dbraw/zinc/89/72/54/999897254.db2.gz BYUCMDLJPMWTAN-VWLOTQADSA-N 1 3 402.542 3.721 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000490953759 1000027005 /nfs/dbraw/zinc/02/70/05/1000027005.db2.gz XBNZOTFVRRSMOR-RBUKOAKNSA-N 1 3 404.624 3.662 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000490953759 1000027007 /nfs/dbraw/zinc/02/70/07/1000027007.db2.gz XBNZOTFVRRSMOR-RBUKOAKNSA-N 1 3 404.624 3.662 20 0 HHADHO CCc1ccc([C@H](NCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491002831 1000032726 /nfs/dbraw/zinc/03/27/26/1000032726.db2.gz CVRACZNWZLRYAM-QHCPKHFHSA-N 1 3 400.588 3.673 20 0 HHADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491025339 1000035605 /nfs/dbraw/zinc/03/56/05/1000035605.db2.gz CLHXSCQKCMJRCN-OAQYLSRUSA-N 1 3 405.586 3.804 20 0 HHADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491025339 1000035607 /nfs/dbraw/zinc/03/56/07/1000035607.db2.gz CLHXSCQKCMJRCN-OAQYLSRUSA-N 1 3 405.586 3.804 20 0 HHADHO C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492376909 1000124399 /nfs/dbraw/zinc/12/43/99/1000124399.db2.gz PJZLNNLADQEQSQ-HFSMHLIXSA-N 1 3 422.491 3.945 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Br)c(Cl)c2)cc1 ZINC000494059936 1000288323 /nfs/dbraw/zinc/28/83/23/1000288323.db2.gz KRJAVNSASUQSPX-UHFFFAOYSA-N 1 3 424.770 3.684 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000494573820 1000560723 /nfs/dbraw/zinc/56/07/23/1000560723.db2.gz HYKUBAUXGKJMAI-ROUUACIJSA-N 1 3 424.511 3.929 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)CC1 ZINC000494923573 1000732148 /nfs/dbraw/zinc/73/21/48/1000732148.db2.gz LYFZBCVZEVVLJW-RDGATRHJSA-N 1 3 411.565 3.831 20 0 HHADHO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000505590073 1000923397 /nfs/dbraw/zinc/92/33/97/1000923397.db2.gz DLJUUNKUMXGIPP-AUSIDOKSSA-N 1 3 419.573 3.533 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605661 1000930962 /nfs/dbraw/zinc/93/09/62/1000930962.db2.gz HPSHFVTXTCRMHO-YKSBVNFPSA-N 1 3 408.590 3.638 20 0 HHADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000495330809 1000970061 /nfs/dbraw/zinc/97/00/61/1000970061.db2.gz CGNMVQQGKKLFTQ-OAQYLSRUSA-N 1 3 418.651 3.868 20 0 HHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000495330809 1000970068 /nfs/dbraw/zinc/97/00/68/1000970068.db2.gz CGNMVQQGKKLFTQ-OAQYLSRUSA-N 1 3 418.651 3.868 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(-c2cccs2)nc1C ZINC000505785422 1001022896 /nfs/dbraw/zinc/02/28/96/1001022896.db2.gz UMRBKKHITKLUCN-MRXNPFEDSA-N 1 3 406.621 3.668 20 0 HHADHO Cc1sc2nc([C@@H](C)N3CCC(CCC[NH+]4CCOCC4)CC3)nc(N)c2c1C ZINC000506032627 1001178005 /nfs/dbraw/zinc/17/80/05/1001178005.db2.gz RDUFLKXVCBJRHF-MRXNPFEDSA-N 1 3 417.623 3.776 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526613 1001451499 /nfs/dbraw/zinc/45/14/99/1001451499.db2.gz QOOMTKNATIATJQ-PZJWPPBQSA-N 1 3 407.549 3.772 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000506526613 1001451500 /nfs/dbraw/zinc/45/15/00/1001451500.db2.gz QOOMTKNATIATJQ-PZJWPPBQSA-N 1 3 407.549 3.772 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000506744916 1001511570 /nfs/dbraw/zinc/51/15/70/1001511570.db2.gz UQMJVTVUDCSRML-NRFANRHFSA-N 1 3 405.533 3.621 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000497810268 1001520547 /nfs/dbraw/zinc/52/05/47/1001520547.db2.gz VBFFZAQVEKEUCY-UHFFFAOYSA-N 1 3 422.573 3.946 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898949 1002289813 /nfs/dbraw/zinc/28/98/13/1002289813.db2.gz UCTVBKURGSOSKR-YSZBQJHXSA-N 1 3 412.553 3.781 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898949 1002289819 /nfs/dbraw/zinc/28/98/19/1002289819.db2.gz UCTVBKURGSOSKR-YSZBQJHXSA-N 1 3 412.553 3.781 20 0 HHADHO Cn1c(CN2CCC(CCC[NH+]3CCOCC3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000507713070 1002303478 /nfs/dbraw/zinc/30/34/78/1002303478.db2.gz HNCBPOXUDRPZSP-UHFFFAOYSA-N 1 3 424.511 3.917 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162182 1002548603 /nfs/dbraw/zinc/54/86/03/1002548603.db2.gz AHROVFHJUIEVHO-SSUZURRFSA-N 1 3 405.586 3.845 20 0 HHADHO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499194235 1002584249 /nfs/dbraw/zinc/58/42/49/1002584249.db2.gz QWTHEFDTCCTOFY-TWHAJKEOSA-N 1 3 402.542 3.570 20 0 HHADHO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2=O)cc1 ZINC000499216796 1002601267 /nfs/dbraw/zinc/60/12/67/1002601267.db2.gz TVYRKDSNIKWQRW-AGDMDRQQSA-N 1 3 419.569 3.581 20 0 HHADHO CC(C)c1ccc(C[C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000499482812 1002869706 /nfs/dbraw/zinc/86/97/06/1002869706.db2.gz FGFAOZFSLHGKOE-IBGZPJMESA-N 1 3 400.611 3.599 20 0 HHADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662560 1003021643 /nfs/dbraw/zinc/02/16/43/1003021643.db2.gz HOOIPNQLGHPVAH-URXFXBBRSA-N 1 3 404.602 3.724 20 0 HHADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000508560400 1003030246 /nfs/dbraw/zinc/03/02/46/1003030246.db2.gz JWCVNKVGCYLAOY-JOCHJYFZSA-N 1 3 419.560 3.915 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508693803 1003131779 /nfs/dbraw/zinc/13/17/79/1003131779.db2.gz BQCJMVUHQCBEKW-PXDATVDWSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508693803 1003131763 /nfs/dbraw/zinc/13/17/63/1003131763.db2.gz BQCJMVUHQCBEKW-PXDATVDWSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@@H](NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693803 1003131769 /nfs/dbraw/zinc/13/17/69/1003131769.db2.gz BQCJMVUHQCBEKW-PXDATVDWSA-N 1 3 401.554 3.897 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722293 1003162898 /nfs/dbraw/zinc/16/28/98/1003162898.db2.gz XBPUZPKKHFTBIO-NZJKTDFXSA-N 1 3 423.601 3.569 20 0 HHADHO C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508722660 1003163838 /nfs/dbraw/zinc/16/38/38/1003163838.db2.gz YFYOKSXVKLUOTL-NZQKXSOJSA-N 1 3 417.557 3.522 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730267 1003170440 /nfs/dbraw/zinc/17/04/40/1003170440.db2.gz OCJQYWRVAWRNRP-ISJGIBHGSA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730267 1003170459 /nfs/dbraw/zinc/17/04/59/1003170459.db2.gz OCJQYWRVAWRNRP-ISJGIBHGSA-N 1 3 401.558 3.717 20 0 HHADHO C[NH+](C)C1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCCCC1 ZINC000508770433 1003201519 /nfs/dbraw/zinc/20/15/19/1003201519.db2.gz OYUORAYOLMOYJU-OAQYLSRUSA-N 1 3 411.512 3.822 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)C[C@@H](C)O1 ZINC000508894899 1003325151 /nfs/dbraw/zinc/32/51/51/1003325151.db2.gz ONCUEROBNHKBTE-DNRQZRRGSA-N 1 3 416.606 3.956 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109757 1003472363 /nfs/dbraw/zinc/47/23/63/1003472363.db2.gz IWIFLAGTAMZMHY-YOSAUDMPSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109757 1003472369 /nfs/dbraw/zinc/47/23/69/1003472369.db2.gz IWIFLAGTAMZMHY-YOSAUDMPSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H]([NH2+]C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCOCC1)c1ccccc1 ZINC000500489526 1003744579 /nfs/dbraw/zinc/74/45/79/1003744579.db2.gz LRJGLNOHZKKKNT-NRFANRHFSA-N 1 3 421.585 3.912 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)cc2)CC1 ZINC000509532090 1003927725 /nfs/dbraw/zinc/92/77/25/1003927725.db2.gz HZCJUCSAICEBKK-UHFFFAOYSA-N 1 3 409.603 3.576 20 0 HHADHO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000500753181 1003937943 /nfs/dbraw/zinc/93/79/43/1003937943.db2.gz GVYLDJDRRUZSPO-UHFFFAOYSA-N 1 3 420.601 3.847 20 0 HHADHO C[C@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000501041402 1004142765 /nfs/dbraw/zinc/14/27/65/1004142765.db2.gz XRRHTDRNXUULFN-FQEVSTJZSA-N 1 3 420.601 3.986 20 0 HHADHO COc1ccc(CC[C@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000501112113 1004212990 /nfs/dbraw/zinc/21/29/90/1004212990.db2.gz YKCOBOKMACEKPN-HSZRJFAPSA-N 1 3 417.638 3.907 20 0 HHADHO COc1ccc(CC[C@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000501112113 1004212996 /nfs/dbraw/zinc/21/29/96/1004212996.db2.gz YKCOBOKMACEKPN-HSZRJFAPSA-N 1 3 417.638 3.907 20 0 HHADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H]3c4ccc(Cl)cc4NC3=O)CC2)CC1 ZINC000501120341 1004217550 /nfs/dbraw/zinc/21/75/50/1004217550.db2.gz ZNCQKGRZOKMRBP-QFIPXVFZSA-N 1 3 419.013 3.504 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccccc3-c3ccnn3C)cc2)CC1 ZINC000509952234 1004228994 /nfs/dbraw/zinc/22/89/94/1004228994.db2.gz CBTJJEHPMGGYOZ-UHFFFAOYSA-N 1 3 403.574 3.514 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501376571 1004376410 /nfs/dbraw/zinc/37/64/10/1004376410.db2.gz GWUOMOGDXZIKHJ-NZQKXSOJSA-N 1 3 400.611 3.777 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)N1CCc2ccccc2C1 ZINC000501376571 1004376414 /nfs/dbraw/zinc/37/64/14/1004376414.db2.gz GWUOMOGDXZIKHJ-NZQKXSOJSA-N 1 3 400.611 3.777 20 0 HHADHO CC[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)N1CCc2ccccc2C1 ZINC000501377962 1004376924 /nfs/dbraw/zinc/37/69/24/1004376924.db2.gz OAFRMCXPLOCTTE-QHCPKHFHSA-N 1 3 400.611 3.635 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387590 1004383486 /nfs/dbraw/zinc/38/34/86/1004383486.db2.gz IADCSYLSISTWLD-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387590 1004383492 /nfs/dbraw/zinc/38/34/92/1004383492.db2.gz IADCSYLSISTWLD-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621629 1004435467 /nfs/dbraw/zinc/43/54/67/1004435467.db2.gz ZXMBMPZFAXLRMX-XKCSPQBFSA-N 1 3 411.977 3.960 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000512621629 1004435473 /nfs/dbraw/zinc/43/54/73/1004435473.db2.gz ZXMBMPZFAXLRMX-XKCSPQBFSA-N 1 3 411.977 3.960 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000510312877 1004472000 /nfs/dbraw/zinc/47/20/00/1004472000.db2.gz LLMFMIDLZBQARW-UHFFFAOYSA-N 1 3 405.542 3.931 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC000510346465 1004497500 /nfs/dbraw/zinc/49/75/00/1004497500.db2.gz CQCSNLDMKAABEZ-UHFFFAOYSA-N 1 3 420.601 3.744 20 0 HHADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510488129 1004605336 /nfs/dbraw/zinc/60/53/36/1004605336.db2.gz GLHRRUZZLIPRSG-PZJWPPBQSA-N 1 3 412.622 3.776 20 0 HHADHO C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510488129 1004605342 /nfs/dbraw/zinc/60/53/42/1004605342.db2.gz GLHRRUZZLIPRSG-PZJWPPBQSA-N 1 3 412.622 3.776 20 0 HHADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000512901055 1004669936 /nfs/dbraw/zinc/66/99/36/1004669936.db2.gz GWEYHIRMQWSVMK-JOCHJYFZSA-N 1 3 404.599 3.592 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000512907511 1004675821 /nfs/dbraw/zinc/67/58/21/1004675821.db2.gz REUVELIYBGNZTR-HSZRJFAPSA-N 1 3 418.626 3.840 20 0 HHADHO C[NH+](C)CCCC1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000501790797 1004732848 /nfs/dbraw/zinc/73/28/48/1004732848.db2.gz OQLHHAYFJYWXND-FQEVSTJZSA-N 1 3 409.521 3.837 20 0 HHADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Br)cc43)cc2)CC1 ZINC000510737758 1004824912 /nfs/dbraw/zinc/82/49/12/1004824912.db2.gz PCPJPMULCKWZMQ-JOCHJYFZSA-N 1 3 414.391 3.974 20 0 HHADHO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1CCCCCC1 ZINC000510781645 1004848951 /nfs/dbraw/zinc/84/89/51/1004848951.db2.gz USJARVFTFAMEBX-LJQANCHMSA-N 1 3 400.567 3.704 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216679 1004865694 /nfs/dbraw/zinc/86/56/94/1004865694.db2.gz GRRXCLPAKYCFIJ-RUZDIDTESA-N 1 3 420.601 3.611 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000513216679 1004865701 /nfs/dbraw/zinc/86/57/01/1004865701.db2.gz GRRXCLPAKYCFIJ-RUZDIDTESA-N 1 3 420.601 3.611 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000513397650 1004943284 /nfs/dbraw/zinc/94/32/84/1004943284.db2.gz MTDIWJOTHZXMKC-LEWJYISDSA-N 1 3 405.533 3.621 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@H](Cc3ccccc3)N(C)C)CC2)CC1 ZINC000502829687 1005235976 /nfs/dbraw/zinc/23/59/76/1005235976.db2.gz NKOBCKYZLJMVJD-VNXZQDSDSA-N 1 3 400.611 3.502 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000514144145 1005287729 /nfs/dbraw/zinc/28/77/29/1005287729.db2.gz CGHUHNHTUJCYFG-HXUWFJFHSA-N 1 3 404.624 3.839 20 0 HHADHO Cc1cccc(N2CCN(CCCCNC(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000503212881 1005369774 /nfs/dbraw/zinc/36/97/74/1005369774.db2.gz WOEVRRTZSVKHFQ-UHFFFAOYSA-N 1 3 423.605 3.781 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)N(C)C)cc1 ZINC000503349632 1005395552 /nfs/dbraw/zinc/39/55/52/1005395552.db2.gz WJZFASCUDPGJFX-FYYLOGMGSA-N 1 3 400.611 3.895 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H](CN3CCCC3)c3ccccc3)C2)CC1 ZINC000503386843 1005404954 /nfs/dbraw/zinc/40/49/54/1005404954.db2.gz FIXGWJOGDXQWKX-LADGPHEKSA-N 1 3 412.622 3.977 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496493 1005437078 /nfs/dbraw/zinc/43/70/78/1005437078.db2.gz AELGUIYGNZLOBB-UKILVPOCSA-N 1 3 422.617 3.716 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496493 1005437081 /nfs/dbraw/zinc/43/70/81/1005437081.db2.gz AELGUIYGNZLOBB-UKILVPOCSA-N 1 3 422.617 3.716 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000514566391 1006039888 /nfs/dbraw/zinc/03/98/88/1006039888.db2.gz RSECXHFJLFUPSO-QHCPKHFHSA-N 1 3 410.562 3.723 20 0 HHADHO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000514833561 1006163991 /nfs/dbraw/zinc/16/39/91/1006163991.db2.gz JEGDJVJJZPNIIG-DQEYMECFSA-N 1 3 420.601 3.712 20 0 HHADHO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000514833561 1006164003 /nfs/dbraw/zinc/16/40/03/1006164003.db2.gz JEGDJVJJZPNIIG-DQEYMECFSA-N 1 3 420.601 3.712 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2cccc3cccnc32)CC1)Cc1ccccc1 ZINC000531405935 1006176884 /nfs/dbraw/zinc/17/68/84/1006176884.db2.gz HBMBRWFGZBNBCB-UHFFFAOYSA-N 1 3 416.569 3.695 20 0 HHADHO C[NH+](C)Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cc1 ZINC000534253196 1006261757 /nfs/dbraw/zinc/26/17/57/1006261757.db2.gz UVQKGIWVQYHIMH-QFIPXVFZSA-N 1 3 419.491 3.819 20 0 HHADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1F ZINC000534253969 1006262620 /nfs/dbraw/zinc/26/26/20/1006262620.db2.gz LZGYBUIEFXMLBT-HXUWFJFHSA-N 1 3 402.514 3.507 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000531582199 1006284698 /nfs/dbraw/zinc/28/46/98/1006284698.db2.gz HIJUSBVMZCXDSK-NRFANRHFSA-N 1 3 411.638 3.841 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677684 1006348717 /nfs/dbraw/zinc/34/87/17/1006348717.db2.gz KXSYTKWPZHNPHK-YMPZKCBVSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677684 1006348729 /nfs/dbraw/zinc/34/87/29/1006348729.db2.gz KXSYTKWPZHNPHK-YMPZKCBVSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531677684 1006348739 /nfs/dbraw/zinc/34/87/39/1006348739.db2.gz KXSYTKWPZHNPHK-YMPZKCBVSA-N 1 3 412.647 3.537 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759440 1006403677 /nfs/dbraw/zinc/40/36/77/1006403677.db2.gz RAPIRMHDEDVQMF-GOTSBHOMSA-N 1 3 410.558 3.742 20 0 HHADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnc([C@H]4CCCO4)s3)CC2)c1 ZINC000534452684 1006435007 /nfs/dbraw/zinc/43/50/07/1006435007.db2.gz NNONVUXJDLMIGN-JOCHJYFZSA-N 1 3 414.619 3.995 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2csc(N3CCCC3)n2)CC1 ZINC000532041394 1006595245 /nfs/dbraw/zinc/59/52/45/1006595245.db2.gz YKZSTVIFXBGNSH-UHFFFAOYSA-N 1 3 413.635 3.608 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000532042236 1006596570 /nfs/dbraw/zinc/59/65/70/1006596570.db2.gz GQCOXFKBAZPHJD-JOCHJYFZSA-N 1 3 422.617 3.843 20 0 HHADHO COc1ccc([C@@H](NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000538390997 1006660696 /nfs/dbraw/zinc/66/06/96/1006660696.db2.gz IGKBLHPKUGTARQ-VWLOTQADSA-N 1 3 407.558 3.648 20 0 HHADHO CN1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000534720391 1006707044 /nfs/dbraw/zinc/70/70/44/1006707044.db2.gz ADVJBVANPOEKQQ-BJKOFHAPSA-N 1 3 406.574 3.738 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000515844654 1006713658 /nfs/dbraw/zinc/71/36/58/1006713658.db2.gz KDNYVBKHKQQAED-BGYRXZFFSA-N 1 3 406.590 3.657 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000515844654 1006713670 /nfs/dbraw/zinc/71/36/70/1006713670.db2.gz KDNYVBKHKQQAED-BGYRXZFFSA-N 1 3 406.590 3.657 20 0 HHADHO FC(F)(F)c1ccc([C@H](C[NH2+]C2CCN(CC3CC3)CC2)N2CCOCC2)cc1 ZINC000532219140 1006728989 /nfs/dbraw/zinc/72/89/89/1006728989.db2.gz TWBLRIMGOBQUIR-NRFANRHFSA-N 1 3 411.512 3.543 20 0 HHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269718 1006759958 /nfs/dbraw/zinc/75/99/58/1006759958.db2.gz SQQYAWFWZJGONC-VQTJNVASSA-N 1 3 422.495 3.749 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233230 1006965072 /nfs/dbraw/zinc/96/50/72/1006965072.db2.gz RGZXZBSBIAUKNP-ZVDOUQERSA-N 1 3 415.626 3.625 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)c2)CC1 ZINC000516233230 1006965084 /nfs/dbraw/zinc/96/50/84/1006965084.db2.gz RGZXZBSBIAUKNP-ZVDOUQERSA-N 1 3 415.626 3.625 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nnc(-c3ccccc3)o2)CC1 ZINC000532671509 1007086745 /nfs/dbraw/zinc/08/67/45/1007086745.db2.gz BZCWKXDFJHAAKC-UHFFFAOYSA-N 1 3 405.546 3.601 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581644 1007166495 /nfs/dbraw/zinc/16/64/95/1007166495.db2.gz HNHRFVTWCULQJE-DENIHFKCSA-N 1 3 412.553 3.734 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538942343 1007225431 /nfs/dbraw/zinc/22/54/31/1007225431.db2.gz DHGRBGRWUWHMFT-NRFANRHFSA-N 1 3 408.590 3.975 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000539058974 1007353033 /nfs/dbraw/zinc/35/30/33/1007353033.db2.gz BABDVQJLRMRJEZ-PNDGYVOYSA-N 1 3 417.500 3.528 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061905 1007354793 /nfs/dbraw/zinc/35/47/93/1007354793.db2.gz PNULEWGOENUYLY-PNDGYVOYSA-N 1 3 417.500 3.528 20 0 HHADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062470 1007355773 /nfs/dbraw/zinc/35/57/73/1007355773.db2.gz XOUXPIMHUZZEOX-GBESFXJTSA-N 1 3 409.368 3.630 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539065108 1007357737 /nfs/dbraw/zinc/35/77/37/1007357737.db2.gz PCELRPDNFQVVRJ-MTNREXPMSA-N 1 3 402.583 3.635 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000539071208 1007362980 /nfs/dbraw/zinc/36/29/80/1007362980.db2.gz PDZNKEFHUXXVPZ-GOSISDBHSA-N 1 3 412.553 3.568 20 0 HHADHO Cc1c([C@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072105 1007363415 /nfs/dbraw/zinc/36/34/15/1007363415.db2.gz CSJOSHKLMVLNPK-BBWFWOEESA-N 1 3 405.974 3.769 20 0 HHADHO Cc1c([C@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000539072105 1007363427 /nfs/dbraw/zinc/36/34/27/1007363427.db2.gz CSJOSHKLMVLNPK-BBWFWOEESA-N 1 3 405.974 3.769 20 0 HHADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539084697 1007373231 /nfs/dbraw/zinc/37/32/31/1007373231.db2.gz QCKFRXJBLVKWEA-KKSFZXQISA-N 1 3 401.938 3.737 20 0 HHADHO CN(c1ccccc1CNc1ccc(CN2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000533212218 1007539857 /nfs/dbraw/zinc/53/98/57/1007539857.db2.gz HSPBPYKIIWCSLH-UHFFFAOYSA-N 1 3 421.633 3.577 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576616 1007892660 /nfs/dbraw/zinc/89/26/60/1007892660.db2.gz PLFDCUCPLRVQCQ-WOJBJXKFSA-N 1 3 411.512 3.874 20 0 HHADHO COc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728033 1007934162 /nfs/dbraw/zinc/93/41/62/1007934162.db2.gz FSCONJUKENJUFU-UKILVPOCSA-N 1 3 421.585 3.861 20 0 HHADHO COc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728033 1007934170 /nfs/dbraw/zinc/93/41/70/1007934170.db2.gz FSCONJUKENJUFU-UKILVPOCSA-N 1 3 421.585 3.861 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2cccs2)CC1 ZINC000535945940 1007978871 /nfs/dbraw/zinc/97/88/71/1007978871.db2.gz YRDIOCBJSANDHT-NHCUHLMSSA-N 1 3 418.651 3.894 20 0 HHADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884057 1008028235 /nfs/dbraw/zinc/02/82/35/1008028235.db2.gz XPEWMOYKTXBXTH-VQTJNVASSA-N 1 3 406.640 3.941 20 0 HHADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000517884057 1008028244 /nfs/dbraw/zinc/02/82/44/1008028244.db2.gz XPEWMOYKTXBXTH-VQTJNVASSA-N 1 3 406.640 3.941 20 0 HHADHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000533893437 1008187067 /nfs/dbraw/zinc/18/70/67/1008187067.db2.gz WMZXCTFGGUXMOZ-YADHBBJMSA-N 1 3 412.603 3.705 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000539975616 1008216856 /nfs/dbraw/zinc/21/68/56/1008216856.db2.gz AAEIUUOWVFCRHT-ZEQRLZLVSA-N 1 3 421.589 3.775 20 0 HHADHO CCc1ccc(CNC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000540044609 1008254197 /nfs/dbraw/zinc/25/41/97/1008254197.db2.gz IFXQHFFGBQDMMN-UHFFFAOYSA-N 1 3 400.592 3.560 20 0 HHADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466323 1008318761 /nfs/dbraw/zinc/31/87/61/1008318761.db2.gz XBRFSOUJTZNWLK-XMMPIXPASA-N 1 3 420.601 3.675 20 0 HHADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000518466323 1008318763 /nfs/dbraw/zinc/31/87/63/1008318763.db2.gz XBRFSOUJTZNWLK-XMMPIXPASA-N 1 3 420.601 3.675 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(I)cc1 ZINC000540170655 1008320634 /nfs/dbraw/zinc/32/06/34/1008320634.db2.gz ITAXYVCEYPTCBY-OWCLPIDISA-N 1 3 416.347 3.831 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000540172775 1008322200 /nfs/dbraw/zinc/32/22/00/1008322200.db2.gz UXTKMEHOKLKASN-RCZVLFRGSA-N 1 3 421.585 3.770 20 0 HHADHO C[N@H+](CCc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1)C1CC1 ZINC000540431876 1008430852 /nfs/dbraw/zinc/43/08/52/1008430852.db2.gz HRTKUCKGAGPKES-UHFFFAOYSA-N 1 3 420.601 3.864 20 0 HHADHO C[N@@H+](CCc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1)C1CC1 ZINC000540431876 1008430855 /nfs/dbraw/zinc/43/08/55/1008430855.db2.gz HRTKUCKGAGPKES-UHFFFAOYSA-N 1 3 420.601 3.864 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468384 1008443056 /nfs/dbraw/zinc/44/30/56/1008443056.db2.gz NHMKHKBFFBZPOY-DNQXCXABSA-N 1 3 421.585 3.638 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000548950905 1008536845 /nfs/dbraw/zinc/53/68/45/1008536845.db2.gz ZHFDGAMRJFTOOG-ZYLNGJIFSA-N 1 3 424.585 3.897 20 0 HHADHO COc1cccc(OC)c1OCCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519725070 1008979097 /nfs/dbraw/zinc/97/90/97/1008979097.db2.gz JTCYGAKUZHAHNU-PMACEKPBSA-N 1 3 420.594 3.684 20 0 HHADHO Fc1ccc(-c2nc(C[NH2+]CCN3CCN(Cc4ccccc4)CC3)cs2)cc1 ZINC000520207954 1009342301 /nfs/dbraw/zinc/34/23/01/1009342301.db2.gz TZBOJHLFSWYNQO-UHFFFAOYSA-N 1 3 410.562 3.857 20 0 HHADHO CN1CCN(CCCC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000520296157 1009419755 /nfs/dbraw/zinc/41/97/55/1009419755.db2.gz OVZUSFMKFWJUME-UHFFFAOYSA-N 1 3 406.368 3.826 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4[nH]c(-c5cccs5)nc43)CC2)CC1 ZINC000546790923 1009756867 /nfs/dbraw/zinc/75/68/67/1009756867.db2.gz AFDIPWPQBRWXGY-UHFFFAOYSA-N 1 3 423.586 3.580 20 0 HHADHO Cc1cccc([C@H]2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000544189719 1009793021 /nfs/dbraw/zinc/79/30/21/1009793021.db2.gz JKRJULNKWFJHAK-QPPBQGQZSA-N 1 3 405.586 3.954 20 0 HHADHO Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000546933994 1009893047 /nfs/dbraw/zinc/89/30/47/1009893047.db2.gz IDURLTIMNVCQKD-PMACEKPBSA-N 1 3 417.619 3.945 20 0 HHADHO CCCCOc1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1OC ZINC000544594727 1010221010 /nfs/dbraw/zinc/22/10/10/1010221010.db2.gz LWXPVSZBBXWNDG-UHFFFAOYSA-N 1 3 403.611 3.724 20 0 HHADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547827843 1010441421 /nfs/dbraw/zinc/44/14/21/1010441421.db2.gz IKFIANIAKSHWSE-FBBABVLZSA-N 1 3 422.491 3.945 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000521534767 1010445416 /nfs/dbraw/zinc/44/54/16/1010445416.db2.gz ZYIWTLKTFGBGDA-QHCPKHFHSA-N 1 3 409.549 3.950 20 0 HHADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521603223 1010498822 /nfs/dbraw/zinc/49/88/22/1010498822.db2.gz ILMJEESGAOIFEY-INIZCTEOSA-N 1 3 415.409 3.941 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000521685632 1010550094 /nfs/dbraw/zinc/55/00/94/1010550094.db2.gz ATEQVKYZMAEXQD-WOJBJXKFSA-N 1 3 406.590 3.657 20 0 HHADHO C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1[C@H](C)CC[C@H]1C ZINC000521797476 1010625848 /nfs/dbraw/zinc/62/58/48/1010625848.db2.gz UUTYCWNQDCIETQ-GUDVDZBRSA-N 1 3 400.567 3.701 20 0 HHADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(CN2CCCC2)c1 ZINC000522044339 1010774669 /nfs/dbraw/zinc/77/46/69/1010774669.db2.gz NLRQGXGVGVJNRG-UHFFFAOYSA-N 1 3 407.558 3.687 20 0 HHADHO COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000522837444 1011274393 /nfs/dbraw/zinc/27/43/93/1011274393.db2.gz AIYAKMJENIAWKM-UHFFFAOYSA-N 1 3 410.562 3.540 20 0 HHADHO CN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231961 1011380627 /nfs/dbraw/zinc/38/06/27/1011380627.db2.gz IWUBAAPWKCYTJR-RPWUZVMVSA-N 1 3 406.574 3.738 20 0 HHADHO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000523024358 1011488277 /nfs/dbraw/zinc/48/82/77/1011488277.db2.gz CDKRWDITAOJCRV-UHFFFAOYSA-N 1 3 404.624 3.712 20 0 HHADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486632 1011699424 /nfs/dbraw/zinc/69/94/24/1011699424.db2.gz SLYVXGQGTAXTBO-QFIPXVFZSA-N 1 3 417.597 3.948 20 0 HHADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486632 1011699434 /nfs/dbraw/zinc/69/94/34/1011699434.db2.gz SLYVXGQGTAXTBO-QFIPXVFZSA-N 1 3 417.597 3.948 20 0 HHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000536694754 1011862285 /nfs/dbraw/zinc/86/22/85/1011862285.db2.gz VBYCDENJQZTWCS-XMMPIXPASA-N 1 3 419.573 3.867 20 0 HHADHO Cc1ccc([C@@H]2CCCCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000523430267 1011918942 /nfs/dbraw/zinc/91/89/42/1011918942.db2.gz XDAHQKFCABZQRO-NRFANRHFSA-N 1 3 402.583 3.773 20 0 HHADHO C[C@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536948810 1012250572 /nfs/dbraw/zinc/25/05/72/1012250572.db2.gz BECKTIKAQRQGGD-SFHVURJKSA-N 1 3 423.582 3.913 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949331 1012250835 /nfs/dbraw/zinc/25/08/35/1012250835.db2.gz YNRBPHICYLLOFQ-GOSISDBHSA-N 1 3 415.603 3.949 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000536949331 1012250853 /nfs/dbraw/zinc/25/08/53/1012250853.db2.gz YNRBPHICYLLOFQ-GOSISDBHSA-N 1 3 415.603 3.949 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CC1(N3CCOCC3)CCCCC1)c1ccccc1O2 ZINC000537167880 1012570548 /nfs/dbraw/zinc/57/05/48/1012570548.db2.gz KRUHYVBPHMFJGA-QFIPXVFZSA-N 1 3 413.606 3.599 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000586865210 1072486801 /nfs/dbraw/zinc/48/68/01/1072486801.db2.gz HKEQHNPTDCHQIF-DEOSSOPVSA-N 1 3 408.590 3.809 20 0 HHADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377858 1072529953 /nfs/dbraw/zinc/52/99/53/1072529953.db2.gz LXTOYSZWUDVWGG-OAQYLSRUSA-N 1 3 403.636 3.678 20 0 HHADHO CCN1CCN(c2ccc(C(=O)Nc3ccccc3NC3CC[NH+](C)CC3)cc2)CC1 ZINC000555005335 1073054349 /nfs/dbraw/zinc/05/43/49/1073054349.db2.gz LSRIEUPJRDPAFQ-UHFFFAOYSA-N 1 3 421.589 3.587 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000572024714 1073113810 /nfs/dbraw/zinc/11/38/10/1073113810.db2.gz VXXCRHMUBXCMST-QFIPXVFZSA-N 1 3 418.589 3.516 20 0 HHADHO CCc1nc(C)c([C@@H](C)N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)s1 ZINC000572507897 1073290469 /nfs/dbraw/zinc/29/04/69/1073290469.db2.gz HKWUROMZZOCICH-QGZVFWFLSA-N 1 3 406.640 3.730 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555335592 1073360582 /nfs/dbraw/zinc/36/05/82/1073360582.db2.gz PYNFJJIFJKXKIH-OALUTQOASA-N 1 3 411.594 3.595 20 0 HHADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555335592 1073360588 /nfs/dbraw/zinc/36/05/88/1073360588.db2.gz PYNFJJIFJKXKIH-OALUTQOASA-N 1 3 411.594 3.595 20 0 HHADHO O=C(c1ccccc1)N1CC[C@H](CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523934 1073596736 /nfs/dbraw/zinc/59/67/36/1073596736.db2.gz AHQGKAPJMZDXMZ-BVAGGSTKSA-N 1 3 403.570 3.747 20 0 HHADHO O=C(c1ccccc1)N1CC[C@H](CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523934 1073596745 /nfs/dbraw/zinc/59/67/45/1073596745.db2.gz AHQGKAPJMZDXMZ-BVAGGSTKSA-N 1 3 403.570 3.747 20 0 HHADHO CN1CCC[C@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591571100 1074416772 /nfs/dbraw/zinc/41/67/72/1074416772.db2.gz BTVQGIYAEBOZQQ-INIZCTEOSA-N 1 3 401.382 3.551 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 ZINC000593501179 1075205541 /nfs/dbraw/zinc/20/55/41/1075205541.db2.gz WEVBEQKSROGFAF-UHFFFAOYSA-N 1 3 424.589 3.976 20 0 HHADHO CSC1(CNCc2cccc(Br)c2OC(F)F)CC[NH+](C)CC1 ZINC000574323309 1075220691 /nfs/dbraw/zinc/22/06/91/1075220691.db2.gz YFGUYQLETGBEBF-UHFFFAOYSA-N 1 3 409.340 3.968 20 0 HHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877601 721179997 /nfs/dbraw/zinc/17/99/97/721179997.db2.gz OYLSTQXREXUXCO-KMDXXIMOSA-N 1 3 421.589 3.503 20 0 HHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877601 721180001 /nfs/dbraw/zinc/18/00/01/721180001.db2.gz OYLSTQXREXUXCO-KMDXXIMOSA-N 1 3 421.589 3.503 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165023265 721821580 /nfs/dbraw/zinc/82/15/80/721821580.db2.gz ILVJZIUBJHOFLR-OZOXKJRCSA-N 1 3 411.981 3.513 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165023265 721821582 /nfs/dbraw/zinc/82/15/82/721821582.db2.gz ILVJZIUBJHOFLR-OZOXKJRCSA-N 1 3 411.981 3.513 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020641 721826365 /nfs/dbraw/zinc/82/63/65/721826365.db2.gz CYHRQCLVFOMJBA-ZTCOLXNVSA-N 1 3 405.590 3.808 20 0 HHADHO CN(Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001165020641 721826368 /nfs/dbraw/zinc/82/63/68/721826368.db2.gz CYHRQCLVFOMJBA-ZTCOLXNVSA-N 1 3 405.590 3.808 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000542141619 1013075516 /nfs/dbraw/zinc/07/55/16/1013075516.db2.gz FJHGIFIOXGIFKX-AWEZNQCLSA-N 1 3 421.607 3.723 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520124 971821487 /nfs/dbraw/zinc/82/14/87/971821487.db2.gz YVVZSEKSURFMEE-GBXCKJPGSA-N 1 3 424.589 3.652 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520124 971821494 /nfs/dbraw/zinc/82/14/94/971821494.db2.gz YVVZSEKSURFMEE-GBXCKJPGSA-N 1 3 424.589 3.652 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000303785783 972026526 /nfs/dbraw/zinc/02/65/26/972026526.db2.gz DMAYZHJXCJSKLP-XUZZJYLKSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)N(C)C)cc1 ZINC000303785783 972026532 /nfs/dbraw/zinc/02/65/32/972026532.db2.gz DMAYZHJXCJSKLP-XUZZJYLKSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1cccc(OCCNC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537841943 1013403157 /nfs/dbraw/zinc/40/31/57/1013403157.db2.gz QCLPDMYEODLGFU-NRFANRHFSA-N 1 3 424.589 3.512 20 0 HHADHO C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531481 1013473951 /nfs/dbraw/zinc/47/39/51/1013473951.db2.gz KXYDJSZBGFJPMF-ZOBUZTSGSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531481 1013473964 /nfs/dbraw/zinc/47/39/64/1013473964.db2.gz KXYDJSZBGFJPMF-ZOBUZTSGSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531476 1013473985 /nfs/dbraw/zinc/47/39/85/1013473985.db2.gz KXYDJSZBGFJPMF-YQQAZPJKSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531476 1013473989 /nfs/dbraw/zinc/47/39/89/1013473989.db2.gz KXYDJSZBGFJPMF-YQQAZPJKSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537902366 1013487018 /nfs/dbraw/zinc/48/70/18/1013487018.db2.gz QSIBUGYWCDVMKO-NRFANRHFSA-N 1 3 421.589 3.604 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3CCc3ccccc3)CC2)CC1 ZINC000050799506 964401551 /nfs/dbraw/zinc/40/15/51/964401551.db2.gz JPHONLIADVZIAQ-UHFFFAOYSA-N 1 3 405.586 3.760 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000051777817 964694506 /nfs/dbraw/zinc/69/45/06/964694506.db2.gz JEGFXQURBUHZEN-NRFANRHFSA-N 1 3 404.986 3.745 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)CC2)CC1 ZINC000051777869 964694621 /nfs/dbraw/zinc/69/46/21/964694621.db2.gz IWQYKEMFZWXVIA-OAQYLSRUSA-N 1 3 404.574 3.771 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)CC2)CC1 ZINC000051777859 964694941 /nfs/dbraw/zinc/69/49/41/964694941.db2.gz SRWMOXQFWPFFOB-UHFFFAOYSA-N 1 3 404.986 3.573 20 0 HHADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777850 964695204 /nfs/dbraw/zinc/69/52/04/964695204.db2.gz BURBUYNMFADNOK-UHFFFAOYSA-N 1 3 413.393 3.693 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989286 1013563705 /nfs/dbraw/zinc/56/37/05/1013563705.db2.gz ALZXJSBTDDDEFU-PXDATVDWSA-N 1 3 401.554 3.897 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000537989286 1013563713 /nfs/dbraw/zinc/56/37/13/1013563713.db2.gz ALZXJSBTDDDEFU-PXDATVDWSA-N 1 3 401.554 3.897 20 0 HHADHO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000061792486 966557097 /nfs/dbraw/zinc/55/70/97/966557097.db2.gz QUABEUHQTMRLOU-UHFFFAOYSA-N 1 3 404.624 3.520 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100480 1013669719 /nfs/dbraw/zinc/66/97/19/1013669719.db2.gz FQFYYDCYQOXPQB-VWNXMTODSA-N 1 3 409.574 3.879 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100480 1013669721 /nfs/dbraw/zinc/66/97/21/1013669721.db2.gz FQFYYDCYQOXPQB-VWNXMTODSA-N 1 3 409.574 3.879 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043238807 966934350 /nfs/dbraw/zinc/93/43/50/966934350.db2.gz YPANLCNQQZNQCU-DEOSSOPVSA-N 1 3 406.574 3.533 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542845523 1013705197 /nfs/dbraw/zinc/70/51/97/1013705197.db2.gz AZDGBEVDUDQUDO-KKSFZXQISA-N 1 3 408.571 3.931 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542845523 1013705206 /nfs/dbraw/zinc/70/52/06/1013705206.db2.gz AZDGBEVDUDQUDO-KKSFZXQISA-N 1 3 408.571 3.931 20 0 HHADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000065172431 967399320 /nfs/dbraw/zinc/39/93/20/967399320.db2.gz ZIVVNUBSPVOAJB-INIZCTEOSA-N 1 3 419.791 3.647 20 0 HHADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000065172431 967399323 /nfs/dbraw/zinc/39/93/23/967399323.db2.gz ZIVVNUBSPVOAJB-INIZCTEOSA-N 1 3 419.791 3.647 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)N(C)C)cc1 ZINC000065468512 967482492 /nfs/dbraw/zinc/48/24/92/967482492.db2.gz PKOKBVWTAZTDSD-QFIPXVFZSA-N 1 3 400.542 3.510 20 0 HHADHO O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000538226330 1013775671 /nfs/dbraw/zinc/77/56/71/1013775671.db2.gz PQAJTLSASWUTKG-ILBGXUMGSA-N 1 3 421.585 3.656 20 0 HHADHO COc1cccc([C@@H](C[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268514 1013809113 /nfs/dbraw/zinc/80/91/13/1013809113.db2.gz IODNNQOGFIDZOH-DHIUTWEWSA-N 1 3 409.574 3.876 20 0 HHADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109312945 969496169 /nfs/dbraw/zinc/49/61/69/969496169.db2.gz UMPXOTJIEZKHLC-RUZDIDTESA-N 1 3 420.601 3.816 20 0 HHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109312945 969496174 /nfs/dbraw/zinc/49/61/74/969496174.db2.gz UMPXOTJIEZKHLC-RUZDIDTESA-N 1 3 420.601 3.816 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395350 969891164 /nfs/dbraw/zinc/89/11/64/969891164.db2.gz KPYFFFIMNDRRFW-GPUOULLFSA-N 1 3 420.601 3.978 20 0 HHADHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116395350 969891170 /nfs/dbraw/zinc/89/11/70/969891170.db2.gz KPYFFFIMNDRRFW-GPUOULLFSA-N 1 3 420.601 3.978 20 0 HHADHO CC1CCN(c2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2)CC1 ZINC000215989605 970059614 /nfs/dbraw/zinc/05/96/14/970059614.db2.gz GTXIRQQEGWUORS-UHFFFAOYSA-N 1 3 413.610 3.603 20 0 HHADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237403839 970278688 /nfs/dbraw/zinc/27/86/88/970278688.db2.gz DHSBGPNLOTWWOP-HZPDHXFCSA-N 1 3 406.521 3.746 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H](C)O1 ZINC000237571090 970314931 /nfs/dbraw/zinc/31/49/31/970314931.db2.gz CSZVAXBXWNMRIK-NHCUHLMSSA-N 1 3 419.573 3.913 20 0 HHADHO Fc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237913026 970393306 /nfs/dbraw/zinc/39/33/06/970393306.db2.gz YHEUUPWPDSGWPB-UHFFFAOYSA-N 1 3 421.564 3.903 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000261379354 970636541 /nfs/dbraw/zinc/63/65/41/970636541.db2.gz BOZGEHAUQQVGHU-KRWDZBQOSA-N 1 3 422.639 3.529 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000409531873 972987350 /nfs/dbraw/zinc/98/73/50/972987350.db2.gz CVVNERTVIOYYDJ-RUZDIDTESA-N 1 3 420.601 3.542 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 ZINC000426770013 974647103 /nfs/dbraw/zinc/64/71/03/974647103.db2.gz NXSGZFCTMUPATQ-IAGOWNOFSA-N 1 3 409.521 3.505 20 0 HHADHO CC1CCN([C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000428112775 975444779 /nfs/dbraw/zinc/44/47/79/975444779.db2.gz AYXKYIXLKFJTAO-HXUWFJFHSA-N 1 3 404.624 3.695 20 0 HHADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000429490289 976748310 /nfs/dbraw/zinc/74/83/10/976748310.db2.gz LOTFBKHMAZGSLN-NFBKMPQASA-N 1 3 412.622 3.587 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000429495473 976753012 /nfs/dbraw/zinc/75/30/12/976753012.db2.gz WGWKQMNTWNGMAN-FGZHOGPDSA-N 1 3 422.658 3.564 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497574 976754240 /nfs/dbraw/zinc/75/42/40/976754240.db2.gz QXZQFUSAXLZNKN-WTIAFYNJSA-N 1 3 414.638 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@H]1C ZINC000429497574 976754245 /nfs/dbraw/zinc/75/42/45/976754245.db2.gz QXZQFUSAXLZNKN-WTIAFYNJSA-N 1 3 414.638 3.974 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000430824599 977780081 /nfs/dbraw/zinc/78/00/81/977780081.db2.gz XFBDQFKSFJTGED-UEVCKROQSA-N 1 3 400.538 3.688 20 0 HHADHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000430824599 977780087 /nfs/dbraw/zinc/78/00/87/977780087.db2.gz XFBDQFKSFJTGED-UEVCKROQSA-N 1 3 400.538 3.688 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827726 977783672 /nfs/dbraw/zinc/78/36/72/977783672.db2.gz OHTCJGDOLIMUGV-NKKJXINNSA-N 1 3 412.574 3.558 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430827726 977783676 /nfs/dbraw/zinc/78/36/76/977783676.db2.gz OHTCJGDOLIMUGV-NKKJXINNSA-N 1 3 412.574 3.558 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828636 977784080 /nfs/dbraw/zinc/78/40/80/977784080.db2.gz BXGZBILIQYUYHZ-NKKJXINNSA-N 1 3 412.574 3.558 20 0 HHADHO COc1ccccc1COC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430828636 977784088 /nfs/dbraw/zinc/78/40/88/977784088.db2.gz BXGZBILIQYUYHZ-NKKJXINNSA-N 1 3 412.574 3.558 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000431653204 978412485 /nfs/dbraw/zinc/41/24/85/978412485.db2.gz ZCVODHFMHHNRBL-UHFFFAOYSA-N 1 3 404.599 3.644 20 0 HHADHO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(CN(C)C)cc2)CCCC1)c1ccccc1 ZINC000433010447 979041200 /nfs/dbraw/zinc/04/12/00/979041200.db2.gz KOGQPAJKFLEFLF-LJQANCHMSA-N 1 3 415.603 3.690 20 0 HHADHO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092858 980633228 /nfs/dbraw/zinc/63/32/28/980633228.db2.gz ASYVPUXHCYVGED-IRLDBZIGSA-N 1 3 424.593 3.634 20 0 HHADHO Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435092858 980633233 /nfs/dbraw/zinc/63/32/33/980633233.db2.gz ASYVPUXHCYVGED-IRLDBZIGSA-N 1 3 424.593 3.634 20 0 HHADHO CN(c1ccccc1)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000435782203 981029202 /nfs/dbraw/zinc/02/92/02/981029202.db2.gz NKXHUGKFZHKIBX-XMMPIXPASA-N 1 3 402.542 3.706 20 0 HHADHO CN(c1ccccc1)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000435782203 981029209 /nfs/dbraw/zinc/02/92/09/981029209.db2.gz NKXHUGKFZHKIBX-XMMPIXPASA-N 1 3 402.542 3.706 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222945 981637520 /nfs/dbraw/zinc/63/75/20/981637520.db2.gz AUVBMMRQHOIHNX-OAQYLSRUSA-N 1 3 415.626 3.626 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222945 981637522 /nfs/dbraw/zinc/63/75/22/981637522.db2.gz AUVBMMRQHOIHNX-OAQYLSRUSA-N 1 3 415.626 3.626 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525333 981853523 /nfs/dbraw/zinc/85/35/23/981853523.db2.gz PZWWEFAUSYSLGH-OIBXWCBGSA-N 1 3 414.638 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)[C@H](C)C1 ZINC000448525333 981853527 /nfs/dbraw/zinc/85/35/27/981853527.db2.gz PZWWEFAUSYSLGH-OIBXWCBGSA-N 1 3 414.638 3.831 20 0 HHADHO C[C@@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000437787960 982357467 /nfs/dbraw/zinc/35/74/67/982357467.db2.gz SHPZVOPZHAKUCY-NQAMIAIDSA-N 1 3 409.574 3.836 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000460947624 982682995 /nfs/dbraw/zinc/68/29/95/982682995.db2.gz SGJPYNOBWDAYGP-PMACEKPBSA-N 1 3 410.389 3.772 20 0 HHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000438482352 982829238 /nfs/dbraw/zinc/82/92/38/982829238.db2.gz YBCVXSSISGOXMZ-HFZDXXHNSA-N 1 3 405.586 3.819 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000461209932 982923406 /nfs/dbraw/zinc/92/34/06/982923406.db2.gz CKFKKXNVYFYDHO-MNPDLOSFSA-N 1 3 420.601 3.841 20 0 HHADHO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000461209932 982923411 /nfs/dbraw/zinc/92/34/11/982923411.db2.gz CKFKKXNVYFYDHO-MNPDLOSFSA-N 1 3 420.601 3.841 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842792 983110577 /nfs/dbraw/zinc/11/05/77/983110577.db2.gz SVJDIPHVPHNQKO-YKSBVNFPSA-N 1 3 421.589 3.571 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842792 983110580 /nfs/dbraw/zinc/11/05/80/983110580.db2.gz SVJDIPHVPHNQKO-YKSBVNFPSA-N 1 3 421.589 3.571 20 0 HHADHO CC(C)[C@@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970119 983186167 /nfs/dbraw/zinc/18/61/67/983186167.db2.gz UOIQFTMXMNJELS-NFBKMPQASA-N 1 3 415.626 3.663 20 0 HHADHO CC(C)[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000438970129 983186213 /nfs/dbraw/zinc/18/62/13/983186213.db2.gz UOIQFTMXMNJELS-REWPJTCUSA-N 1 3 415.626 3.663 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000440170402 983668209 /nfs/dbraw/zinc/66/82/09/983668209.db2.gz BKULYKZQMHZGRE-HXUWFJFHSA-N 1 3 413.610 3.515 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1(C)C ZINC000441335767 984192015 /nfs/dbraw/zinc/19/20/15/984192015.db2.gz QZCMEOYLVJBAND-UHFFFAOYSA-N 1 3 403.574 3.655 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1(C)C ZINC000441345898 984198863 /nfs/dbraw/zinc/19/88/63/984198863.db2.gz LXEKSISYXJCTKS-UHFFFAOYSA-N 1 3 414.981 3.708 20 0 HHADHO CN1CCN(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1(C)C ZINC000441382207 984221218 /nfs/dbraw/zinc/22/12/18/984221218.db2.gz KFCLALXLVUIPLK-UHFFFAOYSA-N 1 3 406.368 3.825 20 0 HHADHO C[C@@H](N[C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044544 985703576 /nfs/dbraw/zinc/70/35/76/985703576.db2.gz JHICHVRCRIEISF-UZLBHIALSA-N 1 3 421.632 3.706 20 0 HHADHO CC1CCN(CCC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824452 985748051 /nfs/dbraw/zinc/74/80/51/985748051.db2.gz YPXCXCLKIDAFAK-DENIHFKCSA-N 1 3 410.599 3.793 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115171 986078311 /nfs/dbraw/zinc/07/83/11/986078311.db2.gz KKKCSNDYGXHOKD-YKSBVNFPSA-N 1 3 423.601 3.705 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115171 986078326 /nfs/dbraw/zinc/07/83/26/986078326.db2.gz KKKCSNDYGXHOKD-YKSBVNFPSA-N 1 3 423.601 3.705 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)cc2)CC1 ZINC000468941808 986646236 /nfs/dbraw/zinc/64/62/36/986646236.db2.gz KZDSEPKNRMCUSA-UHFFFAOYSA-N 1 3 408.590 3.599 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)cc2)CC1 ZINC000468941808 986646240 /nfs/dbraw/zinc/64/62/40/986646240.db2.gz KZDSEPKNRMCUSA-UHFFFAOYSA-N 1 3 408.590 3.599 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696019 986870945 /nfs/dbraw/zinc/87/09/45/986870945.db2.gz NMQHMCWSFBRUET-JOCHJYFZSA-N 1 3 410.606 3.701 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444696019 986870952 /nfs/dbraw/zinc/87/09/52/986870952.db2.gz NMQHMCWSFBRUET-JOCHJYFZSA-N 1 3 410.606 3.701 20 0 HHADHO COc1cccc([C@H](C)CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000469304042 987018667 /nfs/dbraw/zinc/01/86/67/987018667.db2.gz ZPONOIRLIDIQOL-LJQANCHMSA-N 1 3 401.595 3.644 20 0 HHADHO CCOCc1ccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000469761141 987414236 /nfs/dbraw/zinc/41/42/36/987414236.db2.gz RBOVQGBYVYLCSK-NHCUHLMSSA-N 1 3 423.601 3.586 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000469768136 987420878 /nfs/dbraw/zinc/42/08/78/987420878.db2.gz JMBFTBWQIJHJKU-YBUKQDLZSA-N 1 3 409.618 3.818 20 0 HHADHO CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469770174 987422047 /nfs/dbraw/zinc/42/20/47/987422047.db2.gz TTWGMGIJKNYZEA-WOJBJXKFSA-N 1 3 411.565 3.920 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC[C@H]2c2cccs2)[C@@H](C)C1 ZINC000469784926 987430864 /nfs/dbraw/zinc/43/08/64/987430864.db2.gz DNHNWZJIJYOGLL-YRPNKDGESA-N 1 3 407.624 3.527 20 0 HHADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229109 988162410 /nfs/dbraw/zinc/16/24/10/988162410.db2.gz AHXCEHLUKZDXFH-IRLDBZIGSA-N 1 3 423.523 3.631 20 0 HHADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000470229109 988162413 /nfs/dbraw/zinc/16/24/13/988162413.db2.gz AHXCEHLUKZDXFH-IRLDBZIGSA-N 1 3 423.523 3.631 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000470288078 988245857 /nfs/dbraw/zinc/24/58/57/988245857.db2.gz RSUOWORFSLYXLP-GOTSBHOMSA-N 1 3 400.611 3.803 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721910 988747972 /nfs/dbraw/zinc/74/79/72/988747972.db2.gz DKPGWNBOOJNERT-BJKOFHAPSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721910 988747977 /nfs/dbraw/zinc/74/79/77/988747977.db2.gz DKPGWNBOOJNERT-BJKOFHAPSA-N 1 3 408.590 3.904 20 0 HHADHO CCS[C@@H]1CC[C@H](N(C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770201 988993677 /nfs/dbraw/zinc/99/36/77/988993677.db2.gz FQXIFGZWVGPEQK-FCHUYYIVSA-N 1 3 403.636 3.682 20 0 HHADHO CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770202 988993907 /nfs/dbraw/zinc/99/39/07/988993907.db2.gz FQXIFGZWVGPEQK-FGZHOGPDSA-N 1 3 403.636 3.682 20 0 HHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474774 989671038 /nfs/dbraw/zinc/67/10/38/989671038.db2.gz GZXFBGCGFQZDPG-GVAUOCQISA-N 1 3 418.585 3.597 20 0 HHADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471474774 989671047 /nfs/dbraw/zinc/67/10/47/989671047.db2.gz GZXFBGCGFQZDPG-GVAUOCQISA-N 1 3 418.585 3.597 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431775 989777992 /nfs/dbraw/zinc/77/79/92/989777992.db2.gz KGUOZWHJAHROQH-RZUBCFFCSA-N 1 3 412.603 3.705 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431775 989777997 /nfs/dbraw/zinc/77/79/97/989777997.db2.gz KGUOZWHJAHROQH-RZUBCFFCSA-N 1 3 412.603 3.705 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502881 989851942 /nfs/dbraw/zinc/85/19/42/989851942.db2.gz RVMNAZMMRNDSKI-GIWBLDEGSA-N 1 3 416.610 3.735 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1cccc(OC)c1 ZINC000465502881 989851959 /nfs/dbraw/zinc/85/19/59/989851959.db2.gz RVMNAZMMRNDSKI-GIWBLDEGSA-N 1 3 416.610 3.735 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000465524806 989881347 /nfs/dbraw/zinc/88/13/47/989881347.db2.gz DGKPYSQZSGIPED-ZCYQVOJMSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000465524806 989881362 /nfs/dbraw/zinc/88/13/62/989881362.db2.gz DGKPYSQZSGIPED-ZCYQVOJMSA-N 1 3 420.601 3.987 20 0 HHADHO CC(C)CCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000465811180 990194396 /nfs/dbraw/zinc/19/43/96/990194396.db2.gz MBPQYTNOPBNAIP-UHFFFAOYSA-N 1 3 402.583 3.792 20 0 HHADHO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465822897 990205904 /nfs/dbraw/zinc/20/59/04/990205904.db2.gz ZZTUDTDOKUMZDG-JOCHJYFZSA-N 1 3 400.611 3.516 20 0 HHADHO CCOc1ccc(OCC)c(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466151234 991336866 /nfs/dbraw/zinc/33/68/66/991336866.db2.gz AEVMHZCAJCFZHO-UHFFFAOYSA-N 1 3 418.582 3.556 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000466400989 991694712 /nfs/dbraw/zinc/69/47/12/991694712.db2.gz XOUCBBYPDNSRMM-HYBUGGRVSA-N 1 3 406.574 3.745 20 0 HHADHO CCN1CCN(c2ccccc2CNc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CC1 ZINC000466451558 991742432 /nfs/dbraw/zinc/74/24/32/991742432.db2.gz KMYFKLTUNXFMNB-UHFFFAOYSA-N 1 3 423.605 3.639 20 0 HHADHO CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000467087578 992393231 /nfs/dbraw/zinc/39/32/31/992393231.db2.gz ZRDVMKAYEOPOJO-DEOSSOPVSA-N 1 3 408.590 3.597 20 0 HHADHO C[C@@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000467094232 992399614 /nfs/dbraw/zinc/39/96/14/992399614.db2.gz ITIDTRSNSWLWKX-OAQYLSRUSA-N 1 3 408.590 3.597 20 0 HHADHO Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000467468093 992760723 /nfs/dbraw/zinc/76/07/23/992760723.db2.gz QLLLDIWHNRNYLF-CTNGQTDRSA-N 1 3 410.562 3.720 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cc2)CC1 ZINC000467543728 992823225 /nfs/dbraw/zinc/82/32/25/992823225.db2.gz QTOBBLATMHRLDW-OAQYLSRUSA-N 1 3 420.601 3.784 20 0 HHADHO C[NH+](C)CCCC1CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000472444990 993447503 /nfs/dbraw/zinc/44/75/03/993447503.db2.gz CJTFKBGZVOFILZ-UHFFFAOYSA-N 1 3 418.548 3.555 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000480725894 993593884 /nfs/dbraw/zinc/59/38/84/993593884.db2.gz ZXHSBYKFDBEIGW-NRFANRHFSA-N 1 3 403.574 3.861 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745543 993612972 /nfs/dbraw/zinc/61/29/72/993612972.db2.gz CERROHHZRQORDU-LJQANCHMSA-N 1 3 415.603 3.918 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745543 993612976 /nfs/dbraw/zinc/61/29/76/993612976.db2.gz CERROHHZRQORDU-LJQANCHMSA-N 1 3 415.603 3.918 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)CC1 ZINC000473070977 993990414 /nfs/dbraw/zinc/99/04/14/993990414.db2.gz MARDCALVADWNFH-UHFFFAOYSA-N 1 3 411.565 3.537 20 0 HHADHO COc1ccc(-c2nc3c(s2)[C@@H](NCCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000481176800 994008054 /nfs/dbraw/zinc/00/80/54/994008054.db2.gz SJHWZDIPLDYRTQ-IBGZPJMESA-N 1 3 401.576 3.633 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298460 994153700 /nfs/dbraw/zinc/15/37/00/994153700.db2.gz CDQWMCMVNQZJTJ-GOTSBHOMSA-N 1 3 409.549 3.676 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298460 994153704 /nfs/dbraw/zinc/15/37/04/994153704.db2.gz CDQWMCMVNQZJTJ-GOTSBHOMSA-N 1 3 409.549 3.676 20 0 HHADHO C[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1Br ZINC000482111888 995059019 /nfs/dbraw/zinc/05/90/19/995059019.db2.gz FIBHGOIQJGDNTI-MRXNPFEDSA-N 1 3 421.358 3.846 20 0 HHADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125406 995074749 /nfs/dbraw/zinc/07/47/49/995074749.db2.gz VAPNQTVSAONKKN-RDPSFJRHSA-N 1 3 409.574 3.511 20 0 HHADHO COc1ccc2cc([C@@H](C)NCc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2c1 ZINC000482259368 995237566 /nfs/dbraw/zinc/23/75/66/995237566.db2.gz HEMUGROIIWEFML-GOSISDBHSA-N 1 3 405.542 3.991 20 0 HHADHO CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000482260442 995238247 /nfs/dbraw/zinc/23/82/47/995238247.db2.gz IFGBOPFHHXVUKV-HXUWFJFHSA-N 1 3 418.379 3.981 20 0 HHADHO COc1ccc2nc(C[NH2+]CCCCN3CCN(c4ccccc4)CC3)sc2c1 ZINC000474362559 995343212 /nfs/dbraw/zinc/34/32/12/995343212.db2.gz OTXJWYGMYRGEKT-UHFFFAOYSA-N 1 3 410.587 3.997 20 0 HHADHO COc1ccc2nc(CNCCCC[NH+]3CCN(c4ccccc4)CC3)sc2c1 ZINC000474362559 995343219 /nfs/dbraw/zinc/34/32/19/995343219.db2.gz OTXJWYGMYRGEKT-UHFFFAOYSA-N 1 3 410.587 3.997 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482543885 995551800 /nfs/dbraw/zinc/55/18/00/995551800.db2.gz MXDHLOJAFXHWPC-NRFANRHFSA-N 1 3 411.638 3.592 20 0 HHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000482544387 995552360 /nfs/dbraw/zinc/55/23/60/995552360.db2.gz RWLSFMVNSHUDMT-APWZRJJASA-N 1 3 400.592 3.665 20 0 HHADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000482570405 995575390 /nfs/dbraw/zinc/57/53/90/995575390.db2.gz WJHQWFXYMZBZQZ-QAPCUYQASA-N 1 3 416.566 3.504 20 0 HHADHO CC1CCN(CC(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000474714733 995653756 /nfs/dbraw/zinc/65/37/56/995653756.db2.gz OPGRZBRIYCIZQX-UHFFFAOYSA-N 1 3 411.512 3.860 20 0 HHADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000474714733 995653760 /nfs/dbraw/zinc/65/37/60/995653760.db2.gz OPGRZBRIYCIZQX-UHFFFAOYSA-N 1 3 411.512 3.860 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798340 995714262 /nfs/dbraw/zinc/71/42/62/995714262.db2.gz KMFMJCVOBXOGMS-IAGOWNOFSA-N 1 3 421.301 3.935 20 0 HHADHO C[C@@H]1C[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2cccc(Br)c21 ZINC000482875076 995809147 /nfs/dbraw/zinc/80/91/47/995809147.db2.gz QJWNEZNXUKTOQZ-KDOFPFPSSA-N 1 3 408.384 3.530 20 0 HHADHO C[NH+](C)[C@H](CNC(=O)CNC(C)(C)c1ccc(Br)cc1)c1ccccc1 ZINC000475030196 995881548 /nfs/dbraw/zinc/88/15/48/995881548.db2.gz RAMTTWMTEPKUII-LJQANCHMSA-N 1 3 418.379 3.693 20 0 HHADHO CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCc2ccccc2C1 ZINC000475112181 995929780 /nfs/dbraw/zinc/92/97/80/995929780.db2.gz FDHINGSDKAJBLK-UHFFFAOYSA-N 1 3 412.622 3.920 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266039 996034181 /nfs/dbraw/zinc/03/41/81/996034181.db2.gz CZXFPSWHFRSMNP-SDUSCBPUSA-N 1 3 420.601 3.955 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266039 996034187 /nfs/dbraw/zinc/03/41/87/996034187.db2.gz CZXFPSWHFRSMNP-SDUSCBPUSA-N 1 3 420.601 3.955 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200698 996034212 /nfs/dbraw/zinc/03/42/12/996034212.db2.gz OKFUGQOJNWMAQP-FHWLQOOXSA-N 1 3 411.537 3.593 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H](C)C1 ZINC000483200698 996034215 /nfs/dbraw/zinc/03/42/15/996034215.db2.gz OKFUGQOJNWMAQP-FHWLQOOXSA-N 1 3 411.537 3.593 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483680162 996325244 /nfs/dbraw/zinc/32/52/44/996325244.db2.gz GECHZBKUBPQSEK-XMMPIXPASA-N 1 3 424.589 3.796 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483680162 996325249 /nfs/dbraw/zinc/32/52/49/996325249.db2.gz GECHZBKUBPQSEK-XMMPIXPASA-N 1 3 424.589 3.796 20 0 HHADHO COc1cccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N2CCCC2)c1 ZINC000483706199 996339518 /nfs/dbraw/zinc/33/95/18/996339518.db2.gz BNTNJYYVHIHDDK-QHCPKHFHSA-N 1 3 414.594 3.538 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739468 996359248 /nfs/dbraw/zinc/35/92/48/996359248.db2.gz GOIDKBQYBXNQCP-MDKPJZGXSA-N 1 3 421.632 3.732 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739468 996359254 /nfs/dbraw/zinc/35/92/54/996359254.db2.gz GOIDKBQYBXNQCP-MDKPJZGXSA-N 1 3 421.632 3.732 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814921 996405757 /nfs/dbraw/zinc/40/57/57/996405757.db2.gz HCZXCNZOQYKJHE-HLIPFELVSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000483814921 996405760 /nfs/dbraw/zinc/40/57/60/996405760.db2.gz HCZXCNZOQYKJHE-HLIPFELVSA-N 1 3 413.400 3.943 20 0 HHADHO Cc1csc(-c2cccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)n1 ZINC000483897296 996455648 /nfs/dbraw/zinc/45/56/48/996455648.db2.gz QHZFZCRBBJZSAN-UHFFFAOYSA-N 1 3 413.591 3.799 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccnc(Oc4ccccc4)c3)CC2)CC1 ZINC000483925772 996472759 /nfs/dbraw/zinc/47/27/59/996472759.db2.gz CAXSVKHIBJBKJH-UHFFFAOYSA-N 1 3 409.534 3.554 20 0 HHADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483977047 996501775 /nfs/dbraw/zinc/50/17/75/996501775.db2.gz HTEDOMNWZMNTDZ-UHFFFAOYSA-N 1 3 407.002 3.820 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000484309172 996694211 /nfs/dbraw/zinc/69/42/11/996694211.db2.gz HITKGNSMZUANHP-NRFANRHFSA-N 1 3 404.599 3.639 20 0 HHADHO C[C@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000476871369 997447776 /nfs/dbraw/zinc/44/77/76/997447776.db2.gz DDGXYIOIMSQKNG-GBXCKJPGSA-N 1 3 406.574 3.745 20 0 HHADHO C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000485247149 997631853 /nfs/dbraw/zinc/63/18/53/997631853.db2.gz REYCLXMSZMORAZ-HYBUGGRVSA-N 1 3 408.590 3.889 20 0 HHADHO C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)Cc1ccccc1 ZINC000477377466 998065100 /nfs/dbraw/zinc/06/51/00/998065100.db2.gz GZZURWNSSVKMJC-GMAHTHKFSA-N 1 3 400.611 3.660 20 0 HHADHO Cc1cc(NC2CCN(Cc3ccncc3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477862514 998613381 /nfs/dbraw/zinc/61/33/81/998613381.db2.gz OABJMTFFCFTZKB-UHFFFAOYSA-N 1 3 407.606 3.997 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000486978887 999025828 /nfs/dbraw/zinc/02/58/28/999025828.db2.gz YOWSSPKDWNRSCT-OAQYLSRUSA-N 1 3 414.569 3.619 20 0 HHADHO CC(C)CCn1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C(C)C ZINC000487632720 999236533 /nfs/dbraw/zinc/23/65/33/999236533.db2.gz STAMOZDMLGBIGR-UHFFFAOYSA-N 1 3 418.630 3.733 20 0 HHADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479056084 999271207 /nfs/dbraw/zinc/27/12/07/999271207.db2.gz GMTSMRSQDPVOOT-OAHLLOKOSA-N 1 3 409.290 3.965 20 0 HHADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000488409754 999478889 /nfs/dbraw/zinc/47/88/89/999478889.db2.gz XALLVERTJZDKCJ-GOSISDBHSA-N 1 3 410.002 3.620 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075196 999710293 /nfs/dbraw/zinc/71/02/93/999710293.db2.gz ZQXPIMOTGGFBKN-MZBJOSPHSA-N 1 3 423.601 3.569 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480075196 999710295 /nfs/dbraw/zinc/71/02/95/999710295.db2.gz ZQXPIMOTGGFBKN-MZBJOSPHSA-N 1 3 423.601 3.569 20 0 HHADHO C[C@H]1CCC[C@](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000489293356 999739038 /nfs/dbraw/zinc/73/90/38/999739038.db2.gz FZIFZVGYADWJPI-RDPSFJRHSA-N 1 3 400.611 3.803 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3cccc(F)c3)C(C)(C)C)CC2)CC1 ZINC000489392204 999757241 /nfs/dbraw/zinc/75/72/41/999757241.db2.gz MTNVRTKEJQWPMX-NRFANRHFSA-N 1 3 404.574 3.771 20 0 HHADHO C[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000489565428 999793342 /nfs/dbraw/zinc/79/33/42/999793342.db2.gz ZHYHOYWHMRSANK-AWEZNQCLSA-N 1 3 407.331 3.586 20 0 HHADHO Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000480455696 999803259 /nfs/dbraw/zinc/80/32/59/999803259.db2.gz WBIHZKUIGXEFEW-BWKNWUBXSA-N 1 3 411.590 3.660 20 0 HHADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616792 999803668 /nfs/dbraw/zinc/80/36/68/999803668.db2.gz ARDKUXQWLKECMB-DPLHUUCSSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)Cc1ccccc1 ZINC000489616792 999803671 /nfs/dbraw/zinc/80/36/71/999803671.db2.gz ARDKUXQWLKECMB-DPLHUUCSSA-N 1 3 408.590 3.717 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602975 999838119 /nfs/dbraw/zinc/83/81/19/999838119.db2.gz QVTVGOFFACSMMH-RBUKOAKNSA-N 1 3 415.603 3.820 20 0 HHADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000480602975 999838122 /nfs/dbraw/zinc/83/81/22/999838122.db2.gz QVTVGOFFACSMMH-RBUKOAKNSA-N 1 3 415.603 3.820 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844419 999848280 /nfs/dbraw/zinc/84/82/80/999848280.db2.gz XMVIAPBHFLZBSQ-YKSBVNFPSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844419 999848283 /nfs/dbraw/zinc/84/82/83/999848283.db2.gz XMVIAPBHFLZBSQ-YKSBVNFPSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489869742 999851945 /nfs/dbraw/zinc/85/19/45/999851945.db2.gz AJQALHSQONUHQR-NHCUHLMSSA-N 1 3 400.611 3.660 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000489910183 999860500 /nfs/dbraw/zinc/86/05/00/999860500.db2.gz AXLRUIIODJDKOR-UHFFFAOYSA-N 1 3 400.611 3.947 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000490354380 999943253 /nfs/dbraw/zinc/94/32/53/999943253.db2.gz LJHFCWVKOPBLOR-HMXCVIKNSA-N 1 3 417.395 3.926 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490991947 1000031236 /nfs/dbraw/zinc/03/12/36/1000031236.db2.gz YZYYXNADPVXONB-CPJSRVTESA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490991947 1000031239 /nfs/dbraw/zinc/03/12/39/1000031239.db2.gz YZYYXNADPVXONB-CPJSRVTESA-N 1 3 411.565 3.863 20 0 HHADHO C[NH+]1CCC(CCN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491002462 1000032764 /nfs/dbraw/zinc/03/27/64/1000032764.db2.gz BSIIWFATNLOWET-QFIPXVFZSA-N 1 3 404.551 3.640 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426258 1000126620 /nfs/dbraw/zinc/12/66/20/1000126620.db2.gz UZDOIIVCVZGAHK-ZODMCCGTSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000492426258 1000126622 /nfs/dbraw/zinc/12/66/22/1000126622.db2.gz UZDOIIVCVZGAHK-ZODMCCGTSA-N 1 3 420.601 3.513 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605658 1000931132 /nfs/dbraw/zinc/93/11/32/1000931132.db2.gz HPSHFVTXTCRMHO-HYBUGGRVSA-N 1 3 408.590 3.638 20 0 HHADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441029 1001013344 /nfs/dbraw/zinc/01/33/44/1001013344.db2.gz ZSQKYHWRLRKPTQ-BBTUJRGHSA-N 1 3 416.587 3.660 20 0 HHADHO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506008726 1001158829 /nfs/dbraw/zinc/15/88/29/1001158829.db2.gz FHROTFPOPYGAMT-NRFANRHFSA-N 1 3 401.501 3.522 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1 ZINC000497359392 1001308834 /nfs/dbraw/zinc/30/88/34/1001308834.db2.gz BERWCGDQQBGQEJ-UHFFFAOYSA-N 1 3 413.562 3.737 20 0 HHADHO COc1ccc(CCCN(C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000497458535 1001377201 /nfs/dbraw/zinc/37/72/01/1001377201.db2.gz DFXYPKAFENHUBV-OAQYLSRUSA-N 1 3 423.601 3.729 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511230 1001445982 /nfs/dbraw/zinc/44/59/82/1001445982.db2.gz OKPMWSSVXHDMJE-PZJWPPBQSA-N 1 3 407.549 3.915 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511230 1001445991 /nfs/dbraw/zinc/44/59/91/1001445991.db2.gz OKPMWSSVXHDMJE-PZJWPPBQSA-N 1 3 407.549 3.915 20 0 HHADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000497615488 1001459691 /nfs/dbraw/zinc/45/96/91/1001459691.db2.gz PPHQYAUVPFXOBC-OAQYLSRUSA-N 1 3 401.570 3.809 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(CCc3ccccc3)C3CCCC3)CC2)CC1 ZINC000497803850 1001518836 /nfs/dbraw/zinc/51/88/36/1001518836.db2.gz JSRBOZXLASMHTO-UHFFFAOYSA-N 1 3 412.622 3.742 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114496 1002504205 /nfs/dbraw/zinc/50/42/05/1002504205.db2.gz XVFJKMLFMYZYNP-XMGTWHOFSA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000499114496 1002504220 /nfs/dbraw/zinc/50/42/20/1002504220.db2.gz XVFJKMLFMYZYNP-XMGTWHOFSA-N 1 3 412.578 3.919 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000499138315 1002523138 /nfs/dbraw/zinc/52/31/38/1002523138.db2.gz DNEKXTNSPGJANG-YFUZDLCXSA-N 1 3 420.601 3.980 20 0 HHADHO C[C@H]1CCC[C@H](OCCCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000499384181 1002775623 /nfs/dbraw/zinc/77/56/23/1002775623.db2.gz NUAVLPAUUFHYBN-REWPJTCUSA-N 1 3 407.643 3.817 20 0 HHADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693536 1003132128 /nfs/dbraw/zinc/13/21/28/1003132128.db2.gz CYAQCZZDIGLNNW-LSQMVHIFSA-N 1 3 406.618 3.697 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508849357 1003270423 /nfs/dbraw/zinc/27/04/23/1003270423.db2.gz BMWXPMJUUJYWOU-SSPYTLHUSA-N 1 3 408.590 3.841 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508849357 1003270414 /nfs/dbraw/zinc/27/04/14/1003270414.db2.gz BMWXPMJUUJYWOU-SSPYTLHUSA-N 1 3 408.590 3.841 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508908398 1003348012 /nfs/dbraw/zinc/34/80/12/1003348012.db2.gz SIEJLVVCMLKVQS-FUDKSRODSA-N 1 3 400.611 3.975 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109755 1003472471 /nfs/dbraw/zinc/47/24/71/1003472471.db2.gz IWIFLAGTAMZMHY-NMMYMHLASA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109755 1003472473 /nfs/dbraw/zinc/47/24/73/1003472473.db2.gz IWIFLAGTAMZMHY-NMMYMHLASA-N 1 3 421.589 3.569 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000500131703 1003491732 /nfs/dbraw/zinc/49/17/32/1003491732.db2.gz KGHGJMCDIRZPII-NRFANRHFSA-N 1 3 412.603 3.980 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137294 1003497505 /nfs/dbraw/zinc/49/75/05/1003497505.db2.gz APELLRRKFKZSSU-OFNKIYASSA-N 1 3 418.626 3.744 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000500137294 1003497514 /nfs/dbraw/zinc/49/75/14/1003497514.db2.gz APELLRRKFKZSSU-OFNKIYASSA-N 1 3 418.626 3.744 20 0 HHADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030058 1003500837 /nfs/dbraw/zinc/50/08/37/1003500837.db2.gz HHDAYWVVWWSMQI-NQIIRXRSSA-N 1 3 407.002 3.850 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000500217030 1003557999 /nfs/dbraw/zinc/55/79/99/1003557999.db2.gz HNJOFUJFPOHNCF-IAGOWNOFSA-N 1 3 400.485 3.905 20 0 HHADHO C[C@H]([NH2+]C1(CNC(=O)Nc2cccc(CN(C)C)c2)CCOCC1)c1ccccc1 ZINC000500699785 1003904019 /nfs/dbraw/zinc/90/40/19/1003904019.db2.gz OIYXIMOHIXZCPJ-IBGZPJMESA-N 1 3 410.562 3.770 20 0 HHADHO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000509531794 1003926635 /nfs/dbraw/zinc/92/66/35/1003926635.db2.gz GJDMTPXWUZOVPY-OAQYLSRUSA-N 1 3 417.500 3.723 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3OCc3cccnc3)CC2)C[C@H](C)O1 ZINC000512180539 1004082634 /nfs/dbraw/zinc/08/26/34/1004082634.db2.gz ANSROLWCIYRSKA-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccccc3OCc3cccnc3)CC2)C[C@H](C)O1 ZINC000512180539 1004082645 /nfs/dbraw/zinc/08/26/45/1004082645.db2.gz ANSROLWCIYRSKA-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512184196 1004086478 /nfs/dbraw/zinc/08/64/78/1004086478.db2.gz XHLWCNUZEUASNU-ROUUACIJSA-N 1 3 414.569 3.949 20 0 HHADHO CN(CC(=O)Nc1ccc(Br)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022693 1004126063 /nfs/dbraw/zinc/12/60/63/1004126063.db2.gz RHCUBILMYIPUSN-UHFFFAOYSA-N 1 3 417.351 3.631 20 0 HHADHO C[C@H](NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000501067438 1004169622 /nfs/dbraw/zinc/16/96/22/1004169622.db2.gz IWYTYNKDRNARIQ-KRWDZBQOSA-N 1 3 400.954 3.761 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000501077949 1004183346 /nfs/dbraw/zinc/18/33/46/1004183346.db2.gz PVUAEFGMXDDZKV-OAQYLSRUSA-N 1 3 416.928 3.828 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CN1Cc1ccccc1 ZINC000501086023 1004190923 /nfs/dbraw/zinc/19/09/23/1004190923.db2.gz UWKKSWLUTBNBAF-NFBKMPQASA-N 1 3 421.589 3.602 20 0 HHADHO CCCN(Cc1ccc(C)cc1)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501092880 1004198462 /nfs/dbraw/zinc/19/84/62/1004198462.db2.gz XUELPFUOEFFSKJ-UHFFFAOYSA-N 1 3 408.590 3.977 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386036 1004382387 /nfs/dbraw/zinc/38/23/87/1004382387.db2.gz OSAKFSIFBSQEAN-WIHVIGOGSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386036 1004382396 /nfs/dbraw/zinc/38/23/96/1004382396.db2.gz OSAKFSIFBSQEAN-WIHVIGOGSA-N 1 3 420.601 3.859 20 0 HHADHO CC[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000501405918 1004397157 /nfs/dbraw/zinc/39/71/57/1004397157.db2.gz LVZCROAKEYSSRR-QFIPXVFZSA-N 1 3 410.562 3.585 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000510244551 1004420913 /nfs/dbraw/zinc/42/09/13/1004420913.db2.gz UDCNKIMQBJMFCD-SFTDATJTSA-N 1 3 405.533 3.621 20 0 HHADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512708687 1004508802 /nfs/dbraw/zinc/50/88/02/1004508802.db2.gz VFRDRIZOWYCNBF-FUDKSRODSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512708687 1004508807 /nfs/dbraw/zinc/50/88/07/1004508807.db2.gz VFRDRIZOWYCNBF-FUDKSRODSA-N 1 3 412.622 3.945 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCC[N@H+](C)C3CCCCC3)c(C)c2)CC1 ZINC000501561665 1004518202 /nfs/dbraw/zinc/51/82/02/1004518202.db2.gz NANJELREMPDQNA-UHFFFAOYSA-N 1 3 415.626 3.913 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCC[N@@H+](C)C3CCCCC3)c(C)c2)CC1 ZINC000501561665 1004518208 /nfs/dbraw/zinc/51/82/08/1004518208.db2.gz NANJELREMPDQNA-UHFFFAOYSA-N 1 3 415.626 3.913 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501667403 1004585525 /nfs/dbraw/zinc/58/55/25/1004585525.db2.gz VNUPIYJFAPEPMX-FGZHOGPDSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000501667403 1004585535 /nfs/dbraw/zinc/58/55/35/1004585535.db2.gz VNUPIYJFAPEPMX-FGZHOGPDSA-N 1 3 409.578 3.842 20 0 HHADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC000501779275 1004719372 /nfs/dbraw/zinc/71/93/72/1004719372.db2.gz ALXFQNOHGZBNMR-XMMPIXPASA-N 1 3 406.574 3.741 20 0 HHADHO C[NH+](C)CCCC1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000501790798 1004732743 /nfs/dbraw/zinc/73/27/43/1004732743.db2.gz OQLHHAYFJYWXND-HXUWFJFHSA-N 1 3 409.521 3.837 20 0 HHADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc(C[NH+](CC)CC)cc3)cc2)CC1 ZINC000513191880 1004853695 /nfs/dbraw/zinc/85/36/95/1004853695.db2.gz WYYFNJTZTDIMSO-UHFFFAOYSA-N 1 3 408.590 3.918 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000513382782 1004935694 /nfs/dbraw/zinc/93/56/94/1004935694.db2.gz GPAQNFKYISYTMV-QFIPXVFZSA-N 1 3 400.611 3.758 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000513419573 1004956703 /nfs/dbraw/zinc/95/67/03/1004956703.db2.gz IONUIGHCZMUPCW-OAQYLSRUSA-N 1 3 405.533 3.621 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000513419573 1004956706 /nfs/dbraw/zinc/95/67/06/1004956706.db2.gz IONUIGHCZMUPCW-OAQYLSRUSA-N 1 3 405.533 3.621 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000511253166 1005093095 /nfs/dbraw/zinc/09/30/95/1005093095.db2.gz NENDJAYBUVDURX-QFIPXVFZSA-N 1 3 420.601 3.981 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000511253166 1005093098 /nfs/dbraw/zinc/09/30/98/1005093098.db2.gz NENDJAYBUVDURX-QFIPXVFZSA-N 1 3 420.601 3.981 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000513741149 1005105030 /nfs/dbraw/zinc/10/50/30/1005105030.db2.gz GSPKVNKNIUKMHE-UHFFFAOYSA-N 1 3 408.590 3.552 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000513741149 1005105033 /nfs/dbraw/zinc/10/50/33/1005105033.db2.gz GSPKVNKNIUKMHE-UHFFFAOYSA-N 1 3 408.590 3.552 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000513831116 1005149873 /nfs/dbraw/zinc/14/98/73/1005149873.db2.gz KMVRWMCNRSDJTK-NHCUHLMSSA-N 1 3 415.622 3.880 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 ZINC000502821098 1005232125 /nfs/dbraw/zinc/23/21/25/1005232125.db2.gz DYUMJECBNBWEOO-VHYCJAOWSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000502829076 1005235618 /nfs/dbraw/zinc/23/56/18/1005235618.db2.gz PVEPKWSZWMDKCZ-XJUOHMSHSA-N 1 3 400.611 3.708 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000502829076 1005235621 /nfs/dbraw/zinc/23/56/21/1005235621.db2.gz PVEPKWSZWMDKCZ-XJUOHMSHSA-N 1 3 400.611 3.708 20 0 HHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000511594343 1005238357 /nfs/dbraw/zinc/23/83/57/1005238357.db2.gz KALJSYPPVRNCNB-UHFFFAOYSA-N 1 3 404.599 3.993 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000502876864 1005254555 /nfs/dbraw/zinc/25/45/55/1005254555.db2.gz OUXAFMGAYVMMRK-REWPJTCUSA-N 1 3 416.610 3.643 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000502876864 1005254557 /nfs/dbraw/zinc/25/45/57/1005254557.db2.gz OUXAFMGAYVMMRK-REWPJTCUSA-N 1 3 416.610 3.643 20 0 HHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086547 1005259376 /nfs/dbraw/zinc/25/93/76/1005259376.db2.gz BEYQFDZQSZNIMS-CULFCCOHSA-N 1 3 409.977 3.703 20 0 HHADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514177027 1005299496 /nfs/dbraw/zinc/29/94/96/1005299496.db2.gz ZWHMTXZXSNQEHS-NHCUHLMSSA-N 1 3 412.603 3.534 20 0 HHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000514177027 1005299501 /nfs/dbraw/zinc/29/95/01/1005299501.db2.gz ZWHMTXZXSNQEHS-NHCUHLMSSA-N 1 3 412.603 3.534 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC000503402253 1005409333 /nfs/dbraw/zinc/40/93/33/1005409333.db2.gz SPYPVHOJTAMQSM-BJKOFHAPSA-N 1 3 412.622 3.805 20 0 HHADHO C[C@H]([NH2+]C1(CNC(=O)N(CCN(C)C)Cc2ccccn2)CCCC1)c1ccccc1 ZINC000503730905 1005486673 /nfs/dbraw/zinc/48/66/73/1005486673.db2.gz SWIDGOLLDLGALN-NRFANRHFSA-N 1 3 423.605 3.818 20 0 HHADHO CN(C)CCN(Cc1ccccn1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000504255522 1005583680 /nfs/dbraw/zinc/58/36/80/1005583680.db2.gz TVWAKQUVLIQXPP-UHFFFAOYSA-N 1 3 423.605 3.731 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000514438703 1005990269 /nfs/dbraw/zinc/99/02/69/1005990269.db2.gz TZRGIIKOBXVTRK-DEOSSOPVSA-N 1 3 408.590 3.769 20 0 HHADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000514446078 1005995285 /nfs/dbraw/zinc/99/52/85/1005995285.db2.gz UOLIKXBLXQMTLG-XMMPIXPASA-N 1 3 406.574 3.741 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000514635763 1006064416 /nfs/dbraw/zinc/06/44/16/1006064416.db2.gz XZJUKLKOXGUHJL-LADGPHEKSA-N 1 3 416.569 3.532 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000514635763 1006064421 /nfs/dbraw/zinc/06/44/21/1006064421.db2.gz XZJUKLKOXGUHJL-LADGPHEKSA-N 1 3 416.569 3.532 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000514817553 1006149096 /nfs/dbraw/zinc/14/90/96/1006149096.db2.gz GCRPHPQZAYCPIB-OUDXUNEISA-N 1 3 421.585 3.618 20 0 HHADHO CN1CCN(C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838588 1006166945 /nfs/dbraw/zinc/16/69/45/1006166945.db2.gz TWAGAKALPBWRTG-HVWQDESWSA-N 1 3 418.629 3.760 20 0 HHADHO CN1CCN(C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838588 1006166953 /nfs/dbraw/zinc/16/69/53/1006166953.db2.gz TWAGAKALPBWRTG-HVWQDESWSA-N 1 3 418.629 3.760 20 0 HHADHO Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476574 1006489205 /nfs/dbraw/zinc/48/92/05/1006489205.db2.gz LYZZKUZNROPSAQ-TZIWHRDSSA-N 1 3 410.562 3.720 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC000531937045 1006531415 /nfs/dbraw/zinc/53/14/15/1006531415.db2.gz PWSBSRKCBFLEGF-LJQANCHMSA-N 1 3 406.574 3.560 20 0 HHADHO CN1CCN(c2ccc(C[NH2+]Cc3cn(-c4ccccc4)nc3C(C)(C)C)cn2)CC1 ZINC000532075318 1006616788 /nfs/dbraw/zinc/61/67/88/1006616788.db2.gz SJBAQSWXGAZZBW-UHFFFAOYSA-N 1 3 418.589 3.606 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)N(C)C)cc1 ZINC000515842071 1006712453 /nfs/dbraw/zinc/71/24/53/1006712453.db2.gz SHTJALNCQJVUHF-HSZRJFAPSA-N 1 3 414.569 3.764 20 0 HHADHO CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCN(Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000538546759 1006810206 /nfs/dbraw/zinc/81/02/06/1006810206.db2.gz QGMDJYQVNZDZMB-OFVILXPXSA-N 1 3 407.606 3.935 20 0 HHADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Br)ccc1F ZINC000532451526 1006893501 /nfs/dbraw/zinc/89/35/01/1006893501.db2.gz CCXCSWWANKOFFU-AWEZNQCLSA-N 1 3 407.331 3.586 20 0 HHADHO Cc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723185 1006998358 /nfs/dbraw/zinc/99/83/58/1006998358.db2.gz NVLYTHQMYPDAJY-QPPBQGQZSA-N 1 3 423.649 3.936 20 0 HHADHO Cc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723185 1006998365 /nfs/dbraw/zinc/99/83/65/1006998365.db2.gz NVLYTHQMYPDAJY-QPPBQGQZSA-N 1 3 423.649 3.936 20 0 HHADHO C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723148 1006998996 /nfs/dbraw/zinc/99/89/96/1006998996.db2.gz LTQFEOQCUGRVQZ-XUZZJYLKSA-N 1 3 423.649 3.687 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723148 1006999011 /nfs/dbraw/zinc/99/90/11/1006999011.db2.gz LTQFEOQCUGRVQZ-XUZZJYLKSA-N 1 3 423.649 3.687 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000538724160 1007001510 /nfs/dbraw/zinc/00/15/10/1007001510.db2.gz WECLBENIXHONIZ-GAJHUEQPSA-N 1 3 416.013 3.600 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000538724160 1007001523 /nfs/dbraw/zinc/00/15/23/1007001523.db2.gz WECLBENIXHONIZ-GAJHUEQPSA-N 1 3 416.013 3.600 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(OC)c1 ZINC000516333301 1007023136 /nfs/dbraw/zinc/02/31/36/1007023136.db2.gz PPNVWFLDAGEPAU-VWNXMTODSA-N 1 3 424.589 3.502 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987173 1007045997 /nfs/dbraw/zinc/04/59/97/1007045997.db2.gz ZQMPGYQLJCBRPV-DEOSSOPVSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534987173 1007046011 /nfs/dbraw/zinc/04/60/11/1007046011.db2.gz ZQMPGYQLJCBRPV-DEOSSOPVSA-N 1 3 420.601 3.987 20 0 HHADHO COc1ccccc1[C@@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945741 1007230495 /nfs/dbraw/zinc/23/04/95/1007230495.db2.gz HCZXZJCIRBCBCK-LJQANCHMSA-N 1 3 410.562 3.506 20 0 HHADHO CC(C)N1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532948493 1007319216 /nfs/dbraw/zinc/31/92/16/1007319216.db2.gz CZWZZLBGLGYRTO-OAHLLOKOSA-N 1 3 401.624 3.745 20 0 HHADHO CC(C)N1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532948493 1007319237 /nfs/dbraw/zinc/31/92/37/1007319237.db2.gz CZWZZLBGLGYRTO-OAHLLOKOSA-N 1 3 401.624 3.745 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532949928 1007319909 /nfs/dbraw/zinc/31/99/09/1007319909.db2.gz DISVZSVUIFDYFW-MRXNPFEDSA-N 1 3 415.651 3.993 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000532949928 1007319924 /nfs/dbraw/zinc/31/99/24/1007319924.db2.gz DISVZSVUIFDYFW-MRXNPFEDSA-N 1 3 415.651 3.993 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061910 1007354307 /nfs/dbraw/zinc/35/43/07/1007354307.db2.gz PNULEWGOENUYLY-XFEAKLGESA-N 1 3 417.500 3.528 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000533119368 1007465026 /nfs/dbraw/zinc/46/50/26/1007465026.db2.gz PWRNWGNYBBABJK-PFATUAPWSA-N 1 3 420.601 3.711 20 0 HHADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1Cc1ccccc1 ZINC000533119368 1007465038 /nfs/dbraw/zinc/46/50/38/1007465038.db2.gz PWRNWGNYBBABJK-PFATUAPWSA-N 1 3 420.601 3.711 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000539393887 1007700048 /nfs/dbraw/zinc/70/00/48/1007700048.db2.gz ISVFKNSDKIXLDQ-JOCHJYFZSA-N 1 3 409.530 3.602 20 0 HHADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c1 ZINC000539393887 1007700058 /nfs/dbraw/zinc/70/00/58/1007700058.db2.gz ISVFKNSDKIXLDQ-JOCHJYFZSA-N 1 3 409.530 3.602 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542302 1007758676 /nfs/dbraw/zinc/75/86/76/1007758676.db2.gz OVSCAYMHELSDIT-OFVILXPXSA-N 1 3 420.601 3.828 20 0 HHADHO CCN1CCN(Cc2ccc(N[C@H](C)c3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC000539636688 1007953144 /nfs/dbraw/zinc/95/31/44/1007953144.db2.gz HKQAYIUIWUHOSL-OAQYLSRUSA-N 1 3 410.606 3.938 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000539823984 1008117994 /nfs/dbraw/zinc/11/79/94/1008117994.db2.gz RDICSDHOCVGWDI-UHFFFAOYSA-N 1 3 409.622 3.560 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc(OC)c1 ZINC000518094722 1008155881 /nfs/dbraw/zinc/15/58/81/1008155881.db2.gz UYLITJKGQZHJQZ-GMAHTHKFSA-N 1 3 416.610 3.738 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000518403933 1008290861 /nfs/dbraw/zinc/29/08/61/1008290861.db2.gz ZOLRYPWHXBENQY-AGILITTLSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000518403933 1008290869 /nfs/dbraw/zinc/29/08/69/1008290869.db2.gz ZOLRYPWHXBENQY-AGILITTLSA-N 1 3 406.574 3.786 20 0 HHADHO C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000540160784 1008316416 /nfs/dbraw/zinc/31/64/16/1008316416.db2.gz KYGCSIKEGVXMBJ-QVKFZJNVSA-N 1 3 419.928 3.876 20 0 HHADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000543020921 1008598832 /nfs/dbraw/zinc/59/88/32/1008598832.db2.gz JXACVNGTPYVCHL-HSZRJFAPSA-N 1 3 400.611 3.654 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)N(C)C)cc1 ZINC000519450712 1008828955 /nfs/dbraw/zinc/82/89/55/1008828955.db2.gz HWZBFLMJNWIYHR-JOCHJYFZSA-N 1 3 400.542 3.510 20 0 HHADHO C/C=C\c1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000543463360 1009050895 /nfs/dbraw/zinc/05/08/95/1009050895.db2.gz KUBWUUJQIOGSQW-BFIGXIFHSA-N 1 3 402.579 3.711 20 0 HHADHO C/C=C\c1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000543463360 1009050906 /nfs/dbraw/zinc/05/09/06/1009050906.db2.gz KUBWUUJQIOGSQW-BFIGXIFHSA-N 1 3 402.579 3.711 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000519944964 1009096574 /nfs/dbraw/zinc/09/65/74/1009096574.db2.gz HGYRSKCFFBDPTA-FGZHOGPDSA-N 1 3 414.638 3.705 20 0 HHADHO Cc1cc(CN[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)ccc1Cl ZINC000543626401 1009233201 /nfs/dbraw/zinc/23/32/01/1009233201.db2.gz AUDKRHKWZVIHDW-QGZVFWFLSA-N 1 3 424.010 3.729 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520111929 1009267832 /nfs/dbraw/zinc/26/78/32/1009267832.db2.gz MMKWHELHIVQRSA-KCZVDYSFSA-N 1 3 403.586 3.912 20 0 HHADHO C[C@H]1CCC[C@](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130475 1009283909 /nfs/dbraw/zinc/28/39/09/1009283909.db2.gz HBYNKFXKCIUKKT-JTSKRJEESA-N 1 3 410.553 3.549 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000520130344 1009284202 /nfs/dbraw/zinc/28/42/02/1009284202.db2.gz VZWZRTQXFIGEEF-UHFFFAOYSA-N 1 3 409.018 3.925 20 0 HHADHO CN1CC[NH+](CCCCN[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000543707559 1009314105 /nfs/dbraw/zinc/31/41/05/1009314105.db2.gz BUZIUHDRWVZNFD-HXUWFJFHSA-N 1 3 406.368 3.749 20 0 HHADHO CN(C)[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000520297895 1009422203 /nfs/dbraw/zinc/42/22/03/1009422203.db2.gz YEPVIHHVVQKPTP-OAQYLSRUSA-N 1 3 400.592 3.562 20 0 HHADHO CC(=O)c1ccc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000543966698 1009569855 /nfs/dbraw/zinc/56/98/55/1009569855.db2.gz GMLHMYFMDRWFIO-UHFFFAOYSA-N 1 3 406.958 3.614 20 0 HHADHO CCCN1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000546873444 1009835686 /nfs/dbraw/zinc/83/56/86/1009835686.db2.gz XFKQHXADEPOKGN-QGZVFWFLSA-N 1 3 422.411 3.684 20 0 HHADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000551005382 1010312579 /nfs/dbraw/zinc/31/25/79/1010312579.db2.gz KVNVOLXDKFEXAD-DEOSSOPVSA-N 1 3 409.574 3.852 20 0 HHADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547827844 1010441322 /nfs/dbraw/zinc/44/13/22/1010441322.db2.gz IKFIANIAKSHWSE-HFSMHLIXSA-N 1 3 422.491 3.945 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687077 1010550864 /nfs/dbraw/zinc/55/08/64/1010550864.db2.gz IOTGQUPQGKBPSA-GOSISDBHSA-N 1 3 410.553 3.550 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521687077 1010550875 /nfs/dbraw/zinc/55/08/75/1010550875.db2.gz IOTGQUPQGKBPSA-GOSISDBHSA-N 1 3 410.553 3.550 20 0 HHADHO CCOc1c(OC)cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000551580403 1010674208 /nfs/dbraw/zinc/67/42/08/1010674208.db2.gz HKPYPODBMXYIKH-UHFFFAOYSA-N 1 3 414.546 3.865 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548773960 1010727331 /nfs/dbraw/zinc/72/73/31/1010727331.db2.gz CHJOINPLCKEZMH-VIRINCGLSA-N 1 3 408.586 3.942 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)N(C)C)cc1 ZINC000522408379 1010988644 /nfs/dbraw/zinc/98/86/44/1010988644.db2.gz BXBMFXBNZDTEMR-JOCHJYFZSA-N 1 3 414.619 3.871 20 0 HHADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421257 1010998495 /nfs/dbraw/zinc/99/84/95/1010998495.db2.gz RSCJVNVPKNZYMD-NYLDSWQDSA-N 1 3 418.651 3.866 20 0 HHADHO CC1CCC(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421257 1010998498 /nfs/dbraw/zinc/99/84/98/1010998498.db2.gz RSCJVNVPKNZYMD-NYLDSWQDSA-N 1 3 418.651 3.866 20 0 HHADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159041 1011285310 /nfs/dbraw/zinc/28/53/10/1011285310.db2.gz YJYYJHZDWFXXQR-WNMCAHLPSA-N 1 3 418.585 3.927 20 0 HHADHO CN1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536159041 1011285322 /nfs/dbraw/zinc/28/53/22/1011285322.db2.gz YJYYJHZDWFXXQR-WNMCAHLPSA-N 1 3 418.585 3.927 20 0 HHADHO COc1cccc(Nc2ccccc2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000522953693 1011398970 /nfs/dbraw/zinc/39/89/70/1011398970.db2.gz RIAVESPOBLOSRD-UHFFFAOYSA-N 1 3 422.573 3.727 20 0 HHADHO c1cc(NC2CC[NH+](C3CCCCC3)CC2)cc2[nH]c(CCN3CCOCC3)nc12 ZINC000540984564 1011617841 /nfs/dbraw/zinc/61/78/41/1011617841.db2.gz UPFRMHMRZJMABO-UHFFFAOYSA-N 1 3 411.594 3.647 20 0 HHADHO C[C@H]1C[NH+](CCC2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@H](C)O1 ZINC000536709759 1011881563 /nfs/dbraw/zinc/88/15/63/1011881563.db2.gz NGHSBGSOHZQETI-ROUUACIJSA-N 1 3 400.542 3.927 20 0 HHADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@H](C)O1 ZINC000536709754 1011881647 /nfs/dbraw/zinc/88/16/47/1011881647.db2.gz NGHSBGSOHZQETI-HDICACEKSA-N 1 3 400.542 3.927 20 0 HHADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@H](C)O1 ZINC000536709754 1011881664 /nfs/dbraw/zinc/88/16/64/1011881664.db2.gz NGHSBGSOHZQETI-HDICACEKSA-N 1 3 400.542 3.927 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCSc3c(Cl)cccc32)cc1 ZINC000536864925 1012101148 /nfs/dbraw/zinc/10/11/48/1012101148.db2.gz UZFCWUXAQYVPTL-IBGZPJMESA-N 1 3 403.979 3.958 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)CC2)CC1 ZINC000552919111 1012918671 /nfs/dbraw/zinc/91/86/71/1012918671.db2.gz PEGXIZVTCIXRNG-UHFFFAOYSA-N 1 3 414.594 3.806 20 0 HHADHO CNC(=O)N[C@@H]1CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2ccc(C)cc21 ZINC001168377941 1072531706 /nfs/dbraw/zinc/53/17/06/1072531706.db2.gz OLNNEWCJRXROCK-HSZRJFAPSA-N 1 3 410.606 3.577 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cc(C)nc(N3CCCC3)c2)CC1 ZINC000571091937 1072559308 /nfs/dbraw/zinc/55/93/08/1072559308.db2.gz ILLBNDJFOOVSOB-UHFFFAOYSA-N 1 3 407.606 3.812 20 0 HHADHO O=C(c1ccccc1)N1CC[C@H](CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523942 1073597103 /nfs/dbraw/zinc/59/71/03/1073597103.db2.gz AHQGKAPJMZDXMZ-ZEQKJWHPSA-N 1 3 403.570 3.747 20 0 HHADHO O=C(c1ccccc1)N1CC[C@H](CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523942 1073597110 /nfs/dbraw/zinc/59/71/10/1073597110.db2.gz AHQGKAPJMZDXMZ-ZEQKJWHPSA-N 1 3 403.570 3.747 20 0 HHADHO O=C(CN1CCC[C@H](Cc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000592322995 1074715408 /nfs/dbraw/zinc/71/54/08/1074715408.db2.gz GNGLZXXHPGEEAK-RUZDIDTESA-N 1 3 405.586 3.853 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000593500471 1075205017 /nfs/dbraw/zinc/20/50/17/1075205017.db2.gz QHEBZBWXPVAJFQ-HSZRJFAPSA-N 1 3 410.562 3.976 20 0 HHADHO CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470516 1075250778 /nfs/dbraw/zinc/25/07/78/1075250778.db2.gz RWCBJLKCQRWNOJ-ROUUACIJSA-N 1 3 404.576 3.832 20 0 HHADHO CN(Cc1ccc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646398 719297334 /nfs/dbraw/zinc/29/73/34/719297334.db2.gz BEERFEIBVOXOEW-VWNXMTODSA-N 1 3 410.537 3.864 20 0 HHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768937 721235072 /nfs/dbraw/zinc/23/50/72/721235072.db2.gz YUWXLPHKBZPGLN-RBZQAINGSA-N 1 3 422.621 3.710 20 0 HHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768937 721235082 /nfs/dbraw/zinc/23/50/82/721235082.db2.gz YUWXLPHKBZPGLN-RBZQAINGSA-N 1 3 422.621 3.710 20 0 HHADHO C[NH+]1CCC(N2CCC(Nc3cc(C(F)(F)F)nc(-c4cccnc4)n3)CC2)CC1 ZINC000301308474 970859655 /nfs/dbraw/zinc/85/96/55/970859655.db2.gz CUZWONSIOIZVQX-UHFFFAOYSA-N 1 3 420.483 3.528 20 0 HHADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000303467187 971769977 /nfs/dbraw/zinc/76/99/77/971769977.db2.gz IDRRSYOHKZVLTG-NRFANRHFSA-N 1 3 423.601 3.586 20 0 HHADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000537649381 1013210772 /nfs/dbraw/zinc/21/07/72/1013210772.db2.gz JSRQZANKYSIBTO-DEOSSOPVSA-N 1 3 419.573 3.867 20 0 HHADHO Cc1ccc([C@@H]2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316193 1013272619 /nfs/dbraw/zinc/27/26/19/1013272619.db2.gz PXOVGQLMDAAJSR-ZJSXRUAMSA-N 1 3 405.586 3.954 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000537812354 1013375200 /nfs/dbraw/zinc/37/52/00/1013375200.db2.gz SBZZIXGMPJRYAH-QHCPKHFHSA-N 1 3 421.589 3.604 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000051241136 964504135 /nfs/dbraw/zinc/50/41/35/964504135.db2.gz MUJQAXIDDAQRSU-HNNXBMFYSA-N 1 3 412.500 3.624 20 0 HHADHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000051243518 964505066 /nfs/dbraw/zinc/50/50/66/964505066.db2.gz STEIVXMPCKPKHY-OAQYLSRUSA-N 1 3 407.002 3.895 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(c4ccccc4)CCCCC3)CC2)CC1 ZINC000051760356 964689074 /nfs/dbraw/zinc/68/90/74/964689074.db2.gz XSPFOQOHBZUKFJ-UHFFFAOYSA-N 1 3 412.622 3.746 20 0 HHADHO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759348 964689224 /nfs/dbraw/zinc/68/92/24/964689224.db2.gz NCZXEXUSBCJPPO-INIZCTEOSA-N 1 3 415.607 3.557 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975620 1013552026 /nfs/dbraw/zinc/55/20/26/1013552026.db2.gz WMWYMRQZYBDNMC-WMZOPIPTSA-N 1 3 401.938 3.737 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000054920603 965700187 /nfs/dbraw/zinc/70/01/87/965700187.db2.gz VWZPTVIFTDOZGW-NRFANRHFSA-N 1 3 412.603 3.980 20 0 HHADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000059951633 966044920 /nfs/dbraw/zinc/04/49/20/966044920.db2.gz KFMDDUAUBQRQBM-UHFFFAOYSA-N 1 3 419.573 4.226 20 0 HHADHO C[C@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058378 1013635005 /nfs/dbraw/zinc/63/50/05/1013635005.db2.gz AIDKONYGMWQVMI-OTWHNJEPSA-N 1 3 415.603 3.663 20 0 HHADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058378 1013635011 /nfs/dbraw/zinc/63/50/11/1013635011.db2.gz AIDKONYGMWQVMI-OTWHNJEPSA-N 1 3 415.603 3.663 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000061553466 966499240 /nfs/dbraw/zinc/49/92/40/966499240.db2.gz NMBJGMWCTKKHAT-UHFFFAOYSA-N 1 3 420.601 3.920 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000061792179 966555508 /nfs/dbraw/zinc/55/55/08/966555508.db2.gz FBIKLYJNSZQLIZ-UHFFFAOYSA-N 1 3 418.651 3.912 20 0 HHADHO CC1(C)CC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC(C)(C)[NH2+]1 ZINC000061792677 966556545 /nfs/dbraw/zinc/55/65/45/966556545.db2.gz IFZOUDSNHUVLPH-UHFFFAOYSA-N 1 3 404.624 3.709 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000061792241 966556883 /nfs/dbraw/zinc/55/68/83/966556883.db2.gz VIYGHTADHCBHQF-HXUWFJFHSA-N 1 3 418.651 3.912 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000061792241 966556905 /nfs/dbraw/zinc/55/69/05/966556905.db2.gz VIYGHTADHCBHQF-HXUWFJFHSA-N 1 3 418.651 3.912 20 0 HHADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062252799 966632056 /nfs/dbraw/zinc/63/20/56/966632056.db2.gz DHSBGPNLOTWWOP-HOTGVXAUSA-N 1 3 406.521 3.746 20 0 HHADHO C[N@H+](CCCNC(=S)NC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000063145321 966760901 /nfs/dbraw/zinc/76/09/01/966760901.db2.gz UKYMHAABJSCZPZ-UHFFFAOYSA-N 1 3 410.631 3.637 20 0 HHADHO C[N@@H+](CCCNC(=S)NC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000063145321 966760904 /nfs/dbraw/zinc/76/09/04/966760904.db2.gz UKYMHAABJSCZPZ-UHFFFAOYSA-N 1 3 410.631 3.637 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)cc1 ZINC000065470353 967483345 /nfs/dbraw/zinc/48/33/45/967483345.db2.gz CAXBREXZYUGFTN-RPWUZVMVSA-N 1 3 424.589 3.743 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000065522834 967506530 /nfs/dbraw/zinc/50/65/30/967506530.db2.gz NZVIUHVTZOYROA-URXFXBBRSA-N 1 3 408.590 3.638 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000108450937 969385904 /nfs/dbraw/zinc/38/59/04/969385904.db2.gz ZKYBROGQMJNBBD-HXUWFJFHSA-N 1 3 418.582 3.798 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000554350076 1013918509 /nfs/dbraw/zinc/91/85/09/1013918509.db2.gz ZAGUJOKGKPPEGF-JOCHJYFZSA-N 1 3 418.589 3.516 20 0 HHADHO C#CCN1CCC(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)CC1 ZINC000139851909 970049335 /nfs/dbraw/zinc/04/93/35/970049335.db2.gz NUWIBIMVOYPQMF-FQEVSTJZSA-N 1 3 409.496 3.550 20 0 HHADHO COCC[NH+]1CCC(NCc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000140776827 970086441 /nfs/dbraw/zinc/08/64/41/970086441.db2.gz UYFKZZFEDVQXIT-UHFFFAOYSA-N 1 3 400.519 3.697 20 0 HHADHO CC(C)COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236718298 970162293 /nfs/dbraw/zinc/16/22/93/970162293.db2.gz LVJXQZOYQGTXAW-QHCPKHFHSA-N 1 3 409.574 3.709 20 0 HHADHO CC(C)COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000236718298 970162297 /nfs/dbraw/zinc/16/22/97/970162297.db2.gz LVJXQZOYQGTXAW-QHCPKHFHSA-N 1 3 409.574 3.709 20 0 HHADHO CC1CCN([C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c2cccs2)CC1 ZINC000236730157 970164254 /nfs/dbraw/zinc/16/42/54/970164254.db2.gz FEMLAUYNBFHXMJ-OAQYLSRUSA-N 1 3 411.615 3.959 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000236801021 970174868 /nfs/dbraw/zinc/17/48/68/970174868.db2.gz OWSFWLUALMWEOH-RUZDIDTESA-N 1 3 411.590 3.829 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236839121 970178513 /nfs/dbraw/zinc/17/85/13/970178513.db2.gz BMOQWGVHAVRNJU-UHFFFAOYSA-N 1 3 403.574 3.657 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000236864906 970182068 /nfs/dbraw/zinc/18/20/68/970182068.db2.gz PPJVELHZMQLFHY-OXJNMPFZSA-N 1 3 423.395 3.952 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@@H](C)O1 ZINC000237404774 970278982 /nfs/dbraw/zinc/27/89/82/970278982.db2.gz GYAQZGFDVRFXHH-RTBURBONSA-N 1 3 417.594 3.963 20 0 HHADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000237677673 970336868 /nfs/dbraw/zinc/33/68/68/970336868.db2.gz KEBNZURZTUXUFW-UHFFFAOYSA-N 1 3 417.557 3.501 20 0 HHADHO CC[NH+]1CCC(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000554587373 1013984555 /nfs/dbraw/zinc/98/45/55/1013984555.db2.gz RHXHOVOPSCLQQD-QFIPXVFZSA-N 1 3 404.551 3.640 20 0 HHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237939900 970399738 /nfs/dbraw/zinc/39/97/38/970399738.db2.gz BDWHYCADNFEKEC-DEOSSOPVSA-N 1 3 420.601 3.664 20 0 HHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237939900 970399752 /nfs/dbraw/zinc/39/97/52/970399752.db2.gz BDWHYCADNFEKEC-DEOSSOPVSA-N 1 3 420.601 3.664 20 0 HHADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000238121853 970444571 /nfs/dbraw/zinc/44/45/71/970444571.db2.gz FVPKEXWRSWFHHM-OAQYLSRUSA-N 1 3 422.491 3.742 20 0 HHADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000250800230 970538228 /nfs/dbraw/zinc/53/82/28/970538228.db2.gz DKMDRTAYYQDUGH-ZEQRLZLVSA-N 1 3 423.576 3.719 20 0 HHADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000250800230 970538234 /nfs/dbraw/zinc/53/82/34/970538234.db2.gz DKMDRTAYYQDUGH-ZEQRLZLVSA-N 1 3 423.576 3.719 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000252143648 970554600 /nfs/dbraw/zinc/55/46/00/970554600.db2.gz NORWNGWKGLUMOS-HSALFYBXSA-N 1 3 406.640 3.942 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000252143648 970554606 /nfs/dbraw/zinc/55/46/06/970554606.db2.gz NORWNGWKGLUMOS-HSALFYBXSA-N 1 3 406.640 3.942 20 0 HHADHO CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000261464429 970702214 /nfs/dbraw/zinc/70/22/14/970702214.db2.gz RNBJSGVZBVVGRS-JOCHJYFZSA-N 1 3 401.595 3.642 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)(N2CCCCC2)CC1 ZINC000303970500 972558218 /nfs/dbraw/zinc/55/82/18/972558218.db2.gz SHXNUNAVZLSZTC-IRXDYDNUSA-N 1 3 407.961 3.649 20 0 HHADHO Brc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc2c1OCCO2 ZINC000311506253 972627072 /nfs/dbraw/zinc/62/70/72/972627072.db2.gz MRWJUTNPVCQYJT-KRWDZBQOSA-N 1 3 417.347 3.832 20 0 HHADHO OC1(C[NH2+]Cc2cc(F)cc(Br)c2)CCN(Cc2ccccc2)CC1 ZINC000397586518 972872186 /nfs/dbraw/zinc/87/21/86/972872186.db2.gz JIKKVNYINAHPIE-UHFFFAOYSA-N 1 3 407.327 3.705 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000426774691 974650851 /nfs/dbraw/zinc/65/08/51/974650851.db2.gz PNXJRKMMIWHWBL-ROUUACIJSA-N 1 3 407.986 3.880 20 0 HHADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426775679 974651611 /nfs/dbraw/zinc/65/16/11/974651611.db2.gz UERWOPULXFNWHJ-IAGOWNOFSA-N 1 3 422.411 3.745 20 0 HHADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427940583 975359688 /nfs/dbraw/zinc/35/96/88/975359688.db2.gz DNJGSNLNLKIZAT-QFIPXVFZSA-N 1 3 409.578 3.697 20 0 HHADHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000428390601 975711457 /nfs/dbraw/zinc/71/14/57/975711457.db2.gz OOXDRDKQHOVBRG-UHFFFAOYSA-N 1 3 406.574 3.742 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429079310 976364340 /nfs/dbraw/zinc/36/43/40/976364340.db2.gz AGZYRCAIKPQHBB-QPPBQGQZSA-N 1 3 405.586 3.925 20 0 HHADHO COc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000429812034 977086267 /nfs/dbraw/zinc/08/62/67/977086267.db2.gz VLWVORVACBMDRJ-HXUWFJFHSA-N 1 3 409.574 3.716 20 0 HHADHO CCN(C(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000431393196 978267548 /nfs/dbraw/zinc/26/75/48/978267548.db2.gz SBDJVPUVWILKHU-NRFANRHFSA-N 1 3 420.686 3.684 20 0 HHADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000431787869 978513813 /nfs/dbraw/zinc/51/38/13/978513813.db2.gz YAXBVUUZSYHDMN-FQEVSTJZSA-N 1 3 407.986 3.564 20 0 HHADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000431787869 978513816 /nfs/dbraw/zinc/51/38/16/978513816.db2.gz YAXBVUUZSYHDMN-FQEVSTJZSA-N 1 3 407.986 3.564 20 0 HHADHO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(CN(C)C)cc2)CCCC1)c1ccccc1 ZINC000433010446 979041078 /nfs/dbraw/zinc/04/10/78/979041078.db2.gz KOGQPAJKFLEFLF-IBGZPJMESA-N 1 3 415.603 3.690 20 0 HHADHO C[C@@H](C(=O)NCCc1cccs1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433051983 979053095 /nfs/dbraw/zinc/05/30/95/979053095.db2.gz JMCNKUFJLCSTQH-FQEVSTJZSA-N 1 3 411.615 3.783 20 0 HHADHO Cc1c(-c2cc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)on2)cnn1C ZINC000433179716 979123070 /nfs/dbraw/zinc/12/30/70/979123070.db2.gz WULDQPMLHLEYLP-UHFFFAOYSA-N 1 3 405.546 3.872 20 0 HHADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433386264 979268267 /nfs/dbraw/zinc/26/82/67/979268267.db2.gz HNRMAWTYLCTPAB-CNNODRBYSA-N 1 3 420.569 3.925 20 0 HHADHO CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000434107619 979858912 /nfs/dbraw/zinc/85/89/12/979858912.db2.gz YFLAIOOCUAHIMY-QFIPXVFZSA-N 1 3 404.574 3.723 20 0 HHADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449238 980188798 /nfs/dbraw/zinc/18/87/98/980188798.db2.gz WOOWLAYYNVOHOL-FPOVZHCZSA-N 1 3 409.496 3.574 20 0 HHADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449238 980188800 /nfs/dbraw/zinc/18/88/00/980188800.db2.gz WOOWLAYYNVOHOL-FPOVZHCZSA-N 1 3 409.496 3.574 20 0 HHADHO Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435526397 980920362 /nfs/dbraw/zinc/92/03/62/980920362.db2.gz HTJJEDAMVGUNEQ-JOCHJYFZSA-N 1 3 424.593 3.633 20 0 HHADHO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435529251 980923501 /nfs/dbraw/zinc/92/35/01/980923501.db2.gz REHXLUIXCROLAO-IRLDBZIGSA-N 1 3 424.593 3.634 20 0 HHADHO CN(C)Cc1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435634534 980968715 /nfs/dbraw/zinc/96/87/15/980968715.db2.gz DECGATQVDKLHRG-JOCHJYFZSA-N 1 3 403.530 3.644 20 0 HHADHO CN(C)Cc1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000435634534 980968730 /nfs/dbraw/zinc/96/87/30/980968730.db2.gz DECGATQVDKLHRG-JOCHJYFZSA-N 1 3 403.530 3.644 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)c2)CC1 ZINC000436373919 981333934 /nfs/dbraw/zinc/33/39/34/981333934.db2.gz VKXANMCAAMFMNR-QHCPKHFHSA-N 1 3 413.610 3.747 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)c2)CC1 ZINC000436373919 981333939 /nfs/dbraw/zinc/33/39/39/981333939.db2.gz VKXANMCAAMFMNR-QHCPKHFHSA-N 1 3 413.610 3.747 20 0 HHADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(OC)cc2c1C ZINC000460906698 982642366 /nfs/dbraw/zinc/64/23/66/982642366.db2.gz DFMKZPISRNZRSP-QGZVFWFLSA-N 1 3 403.592 3.706 20 0 HHADHO CC(C)Oc1ccc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c(F)c1 ZINC000438203560 982650970 /nfs/dbraw/zinc/65/09/70/982650970.db2.gz SHZXSIWTCCSHKA-UHFFFAOYSA-N 1 3 406.546 3.685 20 0 HHADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000440181613 983672918 /nfs/dbraw/zinc/67/29/18/983672918.db2.gz BRGKHSZQJZFRAU-OAQYLSRUSA-N 1 3 423.605 3.689 20 0 HHADHO Cc1cccc(N2CCN(CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)c1 ZINC000461998635 984979751 /nfs/dbraw/zinc/97/97/51/984979751.db2.gz ZYSINJIKAGYYMY-QFIPXVFZSA-N 1 3 422.617 3.753 20 0 HHADHO CN1CCN(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1(C)C ZINC000442876900 985255697 /nfs/dbraw/zinc/25/56/97/985255697.db2.gz SHZNNJAAOCRVOA-FQEVSTJZSA-N 1 3 424.427 3.532 20 0 HHADHO COc1ccc(CN(C(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000443600136 985776530 /nfs/dbraw/zinc/77/65/30/985776530.db2.gz LEPDJGUICFQMEE-UHFFFAOYSA-N 1 3 413.606 3.774 20 0 HHADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463077061 986034955 /nfs/dbraw/zinc/03/49/55/986034955.db2.gz MFDPAVITWIWUHI-WIOPSUGQSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077061 986034969 /nfs/dbraw/zinc/03/49/69/986034969.db2.gz MFDPAVITWIWUHI-WIOPSUGQSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077061 986034980 /nfs/dbraw/zinc/03/49/80/986034980.db2.gz MFDPAVITWIWUHI-WIOPSUGQSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000463113184 986076212 /nfs/dbraw/zinc/07/62/12/986076212.db2.gz AAIIFKQROIKMII-OAQYLSRUSA-N 1 3 424.608 3.935 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000463123556 986087964 /nfs/dbraw/zinc/08/79/64/986087964.db2.gz KCFGBCIMJOIXGM-HYBUGGRVSA-N 1 3 405.602 3.559 20 0 HHADHO C[C@@H]1C[C@H](N[C@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144625 986114246 /nfs/dbraw/zinc/11/42/46/986114246.db2.gz KWHIYVJPGYJFFW-DNRSQYFGSA-N 1 3 407.602 3.573 20 0 HHADHO C[C@@H]1C[C@H](N[C@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144625 986114251 /nfs/dbraw/zinc/11/42/51/986114251.db2.gz KWHIYVJPGYJFFW-DNRSQYFGSA-N 1 3 407.602 3.573 20 0 HHADHO C[C@H](Cn1cc(Br)cn1)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000468940697 986645119 /nfs/dbraw/zinc/64/51/19/986645119.db2.gz JEXBZBWXYSQZQI-SJORKVTESA-N 1 3 421.383 3.524 20 0 HHADHO COc1ccc(Cn2nc(C)c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)c2C)cc1 ZINC000463736361 986722527 /nfs/dbraw/zinc/72/25/27/986722527.db2.gz OJIGXFFXECYXCC-OALUTQOASA-N 1 3 414.594 3.536 20 0 HHADHO CC(C)n1nc(-c2ccccc2)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000444849626 987007504 /nfs/dbraw/zinc/00/75/04/987007504.db2.gz NROZTMUYMWYWAZ-UHFFFAOYSA-N 1 3 424.593 3.811 20 0 HHADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469334358 987042670 /nfs/dbraw/zinc/04/26/70/987042670.db2.gz NBFICJXERJBXAC-DEOSSOPVSA-N 1 3 415.541 3.769 20 0 HHADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469334358 987042685 /nfs/dbraw/zinc/04/26/85/987042685.db2.gz NBFICJXERJBXAC-DEOSSOPVSA-N 1 3 415.541 3.769 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469696474 987354598 /nfs/dbraw/zinc/35/45/98/987354598.db2.gz VXKRKYDUWDQNDL-FQEVSTJZSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000469696474 987354606 /nfs/dbraw/zinc/35/46/06/987354606.db2.gz VXKRKYDUWDQNDL-FQEVSTJZSA-N 1 3 400.526 3.984 20 0 HHADHO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000469759724 987413498 /nfs/dbraw/zinc/41/34/98/987413498.db2.gz CHUHOTVUJUJCSJ-ACWUQQCTSA-N 1 3 423.601 3.836 20 0 HHADHO Cc1ccc(CN(C(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000469764078 987416562 /nfs/dbraw/zinc/41/65/62/987416562.db2.gz NGBRUXDMAXTJRN-OALUTQOASA-N 1 3 409.574 3.825 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000469783321 987430154 /nfs/dbraw/zinc/43/01/54/987430154.db2.gz LYGPGLOTTPTXMI-HROJSSOGSA-N 1 3 413.993 3.745 20 0 HHADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548600 988726397 /nfs/dbraw/zinc/72/63/97/988726397.db2.gz KVAHSBDFLLUOMW-FPOVZHCZSA-N 1 3 411.512 3.631 20 0 HHADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000464548600 988726401 /nfs/dbraw/zinc/72/64/01/988726401.db2.gz KVAHSBDFLLUOMW-FPOVZHCZSA-N 1 3 411.512 3.631 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733277 988766756 /nfs/dbraw/zinc/76/67/56/988766756.db2.gz QPMQQRLVRWOVKC-VWNXMTODSA-N 1 3 412.622 3.833 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733277 988766769 /nfs/dbraw/zinc/76/67/69/988766769.db2.gz QPMQQRLVRWOVKC-VWNXMTODSA-N 1 3 412.622 3.833 20 0 HHADHO C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000470900624 988974762 /nfs/dbraw/zinc/97/47/62/988974762.db2.gz QUOPFMZWXSBENT-QPPBQGQZSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H](CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000470900624 988974770 /nfs/dbraw/zinc/97/47/70/988974770.db2.gz QUOPFMZWXSBENT-QPPBQGQZSA-N 1 3 408.590 3.813 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465429445 989774561 /nfs/dbraw/zinc/77/45/61/989774561.db2.gz NSHROEFOTLANPM-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465429445 989774575 /nfs/dbraw/zinc/77/45/75/989774575.db2.gz NSHROEFOTLANPM-RPBOFIJWSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccsc1 ZINC000465517298 989869625 /nfs/dbraw/zinc/86/96/25/989869625.db2.gz CGBDJESSJSPJQE-OAQYLSRUSA-N 1 3 414.619 3.529 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000465586784 989961662 /nfs/dbraw/zinc/96/16/62/989961662.db2.gz BWLVBMQECPLPHQ-QFIPXVFZSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589813 989967284 /nfs/dbraw/zinc/96/72/84/989967284.db2.gz DLUPVXMHXNQRNZ-FGZHOGPDSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000465589813 989967292 /nfs/dbraw/zinc/96/72/92/989967292.db2.gz DLUPVXMHXNQRNZ-FGZHOGPDSA-N 1 3 400.611 3.805 20 0 HHADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000467284295 992607079 /nfs/dbraw/zinc/60/70/79/992607079.db2.gz PSFJDYFIKGRDOK-UHFFFAOYSA-N 1 3 407.480 3.971 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366140 993362954 /nfs/dbraw/zinc/36/29/54/993362954.db2.gz HTRCBRLAFLGSRB-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366140 993362961 /nfs/dbraw/zinc/36/29/61/993362961.db2.gz HTRCBRLAFLGSRB-WIOPSUGQSA-N 1 3 420.601 3.815 20 0 HHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780541 993647223 /nfs/dbraw/zinc/64/72/23/993647223.db2.gz QUMRUYGVYHDMHN-DFCKQENNSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)c1 ZINC000480780541 993647234 /nfs/dbraw/zinc/64/72/34/993647234.db2.gz QUMRUYGVYHDMHN-DFCKQENNSA-N 1 3 407.602 3.869 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000480794509 993663926 /nfs/dbraw/zinc/66/39/26/993663926.db2.gz SJVZZQPXSLNKSK-XUZZJYLKSA-N 1 3 412.622 3.646 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000480906304 993762512 /nfs/dbraw/zinc/76/25/12/993762512.db2.gz YBNJLUXNPURBMN-FQEVSTJZSA-N 1 3 423.605 3.815 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481163600 993995879 /nfs/dbraw/zinc/99/58/79/993995879.db2.gz AJJMLRGTLQGJOJ-OFNKIYASSA-N 1 3 421.589 3.511 20 0 HHADHO CC[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674038 994534102 /nfs/dbraw/zinc/53/41/02/994534102.db2.gz VKQHTYJEMFGUPE-WMZOPIPTSA-N 1 3 404.020 3.655 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835361 994768703 /nfs/dbraw/zinc/76/87/03/994768703.db2.gz KMBZMZXDVNAMKI-NFBKMPQASA-N 1 3 421.589 3.786 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c2)CC1 ZINC000473835361 994768713 /nfs/dbraw/zinc/76/87/13/994768713.db2.gz KMBZMZXDVNAMKI-NFBKMPQASA-N 1 3 421.589 3.786 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3ccccc3C[NH+](CC)CC)c2)CC1 ZINC000473836359 994769485 /nfs/dbraw/zinc/76/94/85/994769485.db2.gz MHRQDPDUESTTNM-UHFFFAOYSA-N 1 3 423.605 3.992 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCC[N@H+](C)C3CCCCC3)c2)CC1 ZINC000473839064 994773891 /nfs/dbraw/zinc/77/38/91/994773891.db2.gz YAPQTRNFURKNML-UHFFFAOYSA-N 1 3 401.599 3.605 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCCC[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000473839064 994773901 /nfs/dbraw/zinc/77/39/01/994773901.db2.gz YAPQTRNFURKNML-UHFFFAOYSA-N 1 3 401.599 3.605 20 0 HHADHO CC1CCN([C@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000473975042 994959126 /nfs/dbraw/zinc/95/91/26/994959126.db2.gz FDPJUNUFNKLKAJ-SOAGJPPSSA-N 1 3 404.624 3.837 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146935 995098246 /nfs/dbraw/zinc/09/82/46/995098246.db2.gz QGUNKFNVPPUFKR-DLBZAZTESA-N 1 3 407.605 3.682 20 0 HHADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146935 995098254 /nfs/dbraw/zinc/09/82/54/995098254.db2.gz QGUNKFNVPPUFKR-DLBZAZTESA-N 1 3 407.605 3.682 20 0 HHADHO CCc1cccc(F)c1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000474272377 995268913 /nfs/dbraw/zinc/26/89/13/995268913.db2.gz SMDFUUSKOXDDAF-UHFFFAOYSA-N 1 3 411.565 3.848 20 0 HHADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000474510096 995470892 /nfs/dbraw/zinc/47/08/92/995470892.db2.gz KDKBNOHUZMFZAR-PMACEKPBSA-N 1 3 400.611 3.659 20 0 HHADHO Cc1c([C@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(C)cc1 ZINC000482529431 995537856 /nfs/dbraw/zinc/53/78/56/995537856.db2.gz GTJMFXXTMNVXIV-IBGZPJMESA-N 1 3 407.562 3.718 20 0 HHADHO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000482554793 995562070 /nfs/dbraw/zinc/56/20/70/995562070.db2.gz QFSHAOINOKVZDY-IRLDBZIGSA-N 1 3 409.574 3.812 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709812 995698103 /nfs/dbraw/zinc/69/81/03/995698103.db2.gz TVTUSVMANZISNF-REWPJTCUSA-N 1 3 422.573 3.657 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200701 996034303 /nfs/dbraw/zinc/03/43/03/996034303.db2.gz OKFUGQOJNWMAQP-QYZOEREBSA-N 1 3 411.537 3.593 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000483200701 996034306 /nfs/dbraw/zinc/03/43/06/996034306.db2.gz OKFUGQOJNWMAQP-QYZOEREBSA-N 1 3 411.537 3.593 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000483231813 996050423 /nfs/dbraw/zinc/05/04/23/996050423.db2.gz GCNFIBPUNIIQTI-RTBURBONSA-N 1 3 402.583 3.712 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487565 996213358 /nfs/dbraw/zinc/21/33/58/996213358.db2.gz RBEHGXAJANQRHR-GSLIJJQTSA-N 1 3 424.585 3.559 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487565 996213365 /nfs/dbraw/zinc/21/33/65/996213365.db2.gz RBEHGXAJANQRHR-GSLIJJQTSA-N 1 3 424.585 3.559 20 0 HHADHO OC[C@]1(Cc2ccccc2)CCCN1CCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475668415 996289010 /nfs/dbraw/zinc/28/90/10/996289010.db2.gz QTISGTIDNITHFG-KAYWLYCHSA-N 1 3 422.613 3.516 20 0 HHADHO OC[C@]1(Cc2ccccc2)CCCN1CCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475668415 996289017 /nfs/dbraw/zinc/28/90/17/996289017.db2.gz QTISGTIDNITHFG-KAYWLYCHSA-N 1 3 422.613 3.516 20 0 HHADHO COc1ccc(COC[C@@H](O)CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475727862 996327559 /nfs/dbraw/zinc/32/75/59/996327559.db2.gz IIPOAZWBCIIKJS-AHWVRZQESA-N 1 3 424.585 3.561 20 0 HHADHO COc1ccc(COC[C@@H](O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475727862 996327565 /nfs/dbraw/zinc/32/75/65/996327565.db2.gz IIPOAZWBCIIKJS-AHWVRZQESA-N 1 3 424.585 3.561 20 0 HHADHO CC1(C)CN(C2(CNC(=O)NC3CC[NH+](C4CCCC4)CC3)CCCCC2)CCO1 ZINC000483809186 996402251 /nfs/dbraw/zinc/40/22/51/996402251.db2.gz QAIXATWELBVXJW-UHFFFAOYSA-N 1 3 420.642 3.506 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000483888296 996450116 /nfs/dbraw/zinc/45/01/16/996450116.db2.gz CTRMCYKZDFVYLQ-UHFFFAOYSA-N 1 3 402.436 3.525 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000484926232 997301594 /nfs/dbraw/zinc/30/15/94/997301594.db2.gz PYTAHVZWAPWRFU-VSDWSMLSSA-N 1 3 418.528 3.846 20 0 HHADHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000484926232 997301599 /nfs/dbraw/zinc/30/15/99/997301599.db2.gz PYTAHVZWAPWRFU-VSDWSMLSSA-N 1 3 418.528 3.846 20 0 HHADHO C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000485247150 997631873 /nfs/dbraw/zinc/63/18/73/997631873.db2.gz REYCLXMSZMORAZ-RDPSFJRHSA-N 1 3 408.590 3.889 20 0 HHADHO OC[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cc1ccc(F)c(F)c1 ZINC000477941262 998670994 /nfs/dbraw/zinc/67/09/94/998670994.db2.gz RYUAGEBRTXEKTE-IBPRQYQWSA-N 1 3 400.513 3.616 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802579 999147951 /nfs/dbraw/zinc/14/79/51/999147951.db2.gz SXCTYFWKYOPJFC-SIKLNZKXSA-N 1 3 412.578 3.981 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000479461064 999427248 /nfs/dbraw/zinc/42/72/48/999427248.db2.gz BESVVLJZTVNNRF-ICSRJNTNSA-N 1 3 401.576 3.621 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479461064 999427253 /nfs/dbraw/zinc/42/72/53/999427253.db2.gz BESVVLJZTVNNRF-ICSRJNTNSA-N 1 3 401.576 3.621 20 0 HHADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000488405165 999477203 /nfs/dbraw/zinc/47/72/03/999477203.db2.gz JGDDSPGJLHMNJE-QGZVFWFLSA-N 1 3 424.427 3.850 20 0 HHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488616188 999547145 /nfs/dbraw/zinc/54/71/45/999547145.db2.gz VNQOTIZBEQVCCO-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488616188 999547148 /nfs/dbraw/zinc/54/71/48/999547148.db2.gz VNQOTIZBEQVCCO-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000479810223 999605780 /nfs/dbraw/zinc/60/57/80/999605780.db2.gz TZGGIQXNGMFHBS-HXUWFJFHSA-N 1 3 401.599 3.523 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084140 999712690 /nfs/dbraw/zinc/71/26/90/999712690.db2.gz JBCHWHGXEIDUHI-ZPZUNKDASA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084140 999712692 /nfs/dbraw/zinc/71/26/92/999712692.db2.gz JBCHWHGXEIDUHI-ZPZUNKDASA-N 1 3 411.565 3.699 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292884 999738779 /nfs/dbraw/zinc/73/87/79/999738779.db2.gz JWXJNGMGXUCVOO-XMMPIXPASA-N 1 3 420.601 3.815 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000489292884 999738780 /nfs/dbraw/zinc/73/87/80/999738780.db2.gz JWXJNGMGXUCVOO-XMMPIXPASA-N 1 3 420.601 3.815 20 0 HHADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329050 999772594 /nfs/dbraw/zinc/77/25/94/999772594.db2.gz GATGLZLNQACHOM-YOEHRIQHSA-N 1 3 417.413 3.768 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489869743 999851849 /nfs/dbraw/zinc/85/18/49/999851849.db2.gz AJQALHSQONUHQR-OYRHEFFESA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000489869743 999851851 /nfs/dbraw/zinc/85/18/51/999851851.db2.gz AJQALHSQONUHQR-OYRHEFFESA-N 1 3 400.611 3.660 20 0 HHADHO COc1ccc([C@H]([NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c2ccccc2)cc1 ZINC000490129033 999897243 /nfs/dbraw/zinc/89/72/43/999897243.db2.gz BYUCMDLJPMWTAN-RUZDIDTESA-N 1 3 402.542 3.721 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000490354381 999943234 /nfs/dbraw/zinc/94/32/34/999943234.db2.gz LJHFCWVKOPBLOR-SESVDKBCSA-N 1 3 417.395 3.926 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000490954895 1000027277 /nfs/dbraw/zinc/02/72/77/1000027277.db2.gz ODRRMVVCACAERE-MOPGFXCFSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000490954895 1000027278 /nfs/dbraw/zinc/02/72/78/1000027278.db2.gz ODRRMVVCACAERE-MOPGFXCFSA-N 1 3 404.624 3.520 20 0 HHADHO Cc1ccc([C@H](NCCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491003128 1000032747 /nfs/dbraw/zinc/03/27/47/1000032747.db2.gz DJLDJJBTRMMZGV-QHCPKHFHSA-N 1 3 400.588 3.809 20 0 HHADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000491059112 1000040632 /nfs/dbraw/zinc/04/06/32/1000040632.db2.gz JOJHHYIMOJCHEE-QFQXNSOFSA-N 1 3 404.602 3.581 20 0 HHADHO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)CN(C)C)c1 ZINC000491595735 1000087642 /nfs/dbraw/zinc/08/76/42/1000087642.db2.gz CYPHQLLWFCZARP-SFHVURJKSA-N 1 3 408.546 3.844 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000493033399 1000154561 /nfs/dbraw/zinc/15/45/61/1000154561.db2.gz DWPOJHPUZMSKSJ-HSZRJFAPSA-N 1 3 419.972 3.548 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000504965353 1000475993 /nfs/dbraw/zinc/47/59/93/1000475993.db2.gz LNZZFMBFWRZNSA-SFHVURJKSA-N 1 3 422.664 3.546 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000505738447 1001000841 /nfs/dbraw/zinc/00/08/41/1001000841.db2.gz SCVVIYFYJUCPHI-AWEZNQCLSA-N 1 3 410.971 3.545 20 0 HHADHO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441030 1001013257 /nfs/dbraw/zinc/01/32/57/1001013257.db2.gz ZSQKYHWRLRKPTQ-UEXGIBASSA-N 1 3 416.587 3.660 20 0 HHADHO C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000496249191 1001147254 /nfs/dbraw/zinc/14/72/54/1001147254.db2.gz YUVUGWHYYRTWFI-RDPSFJRHSA-N 1 3 424.589 3.652 20 0 HHADHO Fc1cccc(F)c1-c1nc(CN2CCC(CCC[NH+]3CCOCC3)CC2)co1 ZINC000506013983 1001163406 /nfs/dbraw/zinc/16/34/06/1001163406.db2.gz WFQIEJCUVJGDBJ-UHFFFAOYSA-N 1 3 405.489 3.944 20 0 HHADHO CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1N(C)C ZINC000497656992 1001474868 /nfs/dbraw/zinc/47/48/68/1001474868.db2.gz KLSXOLUGDMSCJK-NHCUHLMSSA-N 1 3 404.624 3.960 20 0 HHADHO CS[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1N(C)C ZINC000497656992 1001474877 /nfs/dbraw/zinc/47/48/77/1001474877.db2.gz KLSXOLUGDMSCJK-NHCUHLMSSA-N 1 3 404.624 3.960 20 0 HHADHO Cc1ccccc1[C@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000507204344 1001892785 /nfs/dbraw/zinc/89/27/85/1001892785.db2.gz KOXRIQXRZFPBCN-GMAHTHKFSA-N 1 3 405.586 3.954 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)N(C)C)cc1 ZINC000499095963 1002487468 /nfs/dbraw/zinc/48/74/68/1002487468.db2.gz VGKNSYRWPMINAP-QHCPKHFHSA-N 1 3 416.610 3.783 20 0 HHADHO Fc1cccc([C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499139405 1002524157 /nfs/dbraw/zinc/52/41/57/1002524157.db2.gz OXBNAPADZGLAIV-SSUZURRFSA-N 1 3 423.576 3.984 20 0 HHADHO CCN1CCN(c2ccc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151296 1002534380 /nfs/dbraw/zinc/53/43/80/1002534380.db2.gz XXKFFNXRMRRYFY-QEIWAGNOSA-N 1 3 419.617 3.509 20 0 HHADHO CCN1CCN(c2ccc(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)CC1 ZINC000499151296 1002534389 /nfs/dbraw/zinc/53/43/89/1002534389.db2.gz XXKFFNXRMRRYFY-QEIWAGNOSA-N 1 3 419.617 3.509 20 0 HHADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+](C)C ZINC000508868482 1003288629 /nfs/dbraw/zinc/28/86/29/1003288629.db2.gz FTTNQADKGBHRNJ-AUSIDOKSSA-N 1 3 412.578 3.885 20 0 HHADHO C[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)N(C)C ZINC000508897648 1003329200 /nfs/dbraw/zinc/32/92/00/1003329200.db2.gz OHIDZQXMIVMMGF-NZJKTDFXSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@H](c1ccccc1)N(C)C ZINC000508897648 1003329210 /nfs/dbraw/zinc/32/92/10/1003329210.db2.gz OHIDZQXMIVMMGF-NZJKTDFXSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000508941895 1003394477 /nfs/dbraw/zinc/39/44/77/1003394477.db2.gz MRMXCLTWGKVCQD-LVCYWYKZSA-N 1 3 411.512 3.820 20 0 HHADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000508941895 1003394402 /nfs/dbraw/zinc/39/44/02/1003394402.db2.gz MRMXCLTWGKVCQD-LVCYWYKZSA-N 1 3 411.512 3.820 20 0 HHADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114970 1003476758 /nfs/dbraw/zinc/47/67/58/1003476758.db2.gz YTJPGFJHBREALZ-ROKPMTFOSA-N 1 3 423.605 3.906 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000500753451 1003937831 /nfs/dbraw/zinc/93/78/31/1003937831.db2.gz IXTAAPZYXPQUCS-HSZRJFAPSA-N 1 3 409.578 3.551 20 0 HHADHO CC[C@@H](C)N[C@@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604392 1003974124 /nfs/dbraw/zinc/97/41/24/1003974124.db2.gz SWZMASLESVOBLA-NQIIRXRSSA-N 1 3 413.566 3.662 20 0 HHADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000500818365 1003977805 /nfs/dbraw/zinc/97/78/05/1003977805.db2.gz PRJPIGHZCNFQLO-DEOSSOPVSA-N 1 3 421.589 3.777 20 0 HHADHO CCN(C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000501017747 1004120766 /nfs/dbraw/zinc/12/07/66/1004120766.db2.gz BRSHIJMQKLEBCA-IBGZPJMESA-N 1 3 412.553 3.979 20 0 HHADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235499 1004135800 /nfs/dbraw/zinc/13/58/00/1004135800.db2.gz CJKMBNFCSWWDMT-BVAGGSTKSA-N 1 3 418.585 3.612 20 0 HHADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235499 1004135811 /nfs/dbraw/zinc/13/58/11/1004135811.db2.gz CJKMBNFCSWWDMT-BVAGGSTKSA-N 1 3 418.585 3.612 20 0 HHADHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235501 1004136103 /nfs/dbraw/zinc/13/61/03/1004136103.db2.gz CJKMBNFCSWWDMT-OZXSUGGESA-N 1 3 418.585 3.612 20 0 HHADHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2cc1C ZINC000512235501 1004136108 /nfs/dbraw/zinc/13/61/08/1004136108.db2.gz CJKMBNFCSWWDMT-OZXSUGGESA-N 1 3 418.585 3.612 20 0 HHADHO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237449 1004139236 /nfs/dbraw/zinc/13/92/36/1004139236.db2.gz RCYCFWOAPIKCSB-GGAORHGYSA-N 1 3 400.950 3.678 20 0 HHADHO O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237449 1004139243 /nfs/dbraw/zinc/13/92/43/1004139243.db2.gz RCYCFWOAPIKCSB-GGAORHGYSA-N 1 3 400.950 3.678 20 0 HHADHO C[C@H](C(=O)Nc1nc2ccccc2s1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071919 1004174900 /nfs/dbraw/zinc/17/49/00/1004174900.db2.gz ARZODEYUFKWUBH-MRXNPFEDSA-N 1 3 409.559 3.867 20 0 HHADHO CCN(CCCN1CC[NH+](C(C)C)CC1)Cc1cc(Br)ccc1F ZINC000501133496 1004225500 /nfs/dbraw/zinc/22/55/00/1004225500.db2.gz KGRHYHILEABYEX-UHFFFAOYSA-N 1 3 400.380 3.826 20 0 HHADHO C[C@H]1C[C@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512425060 1004291102 /nfs/dbraw/zinc/29/11/02/1004291102.db2.gz WXXHBCGDFXEGHF-UNMCSNQZSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H]1C[C@H](CCNC(=O)N(CCN(C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512425060 1004291104 /nfs/dbraw/zinc/29/11/04/1004291104.db2.gz WXXHBCGDFXEGHF-UNMCSNQZSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000501271543 1004325209 /nfs/dbraw/zinc/32/52/09/1004325209.db2.gz ODNOMAOCKJPDDY-FQEVSTJZSA-N 1 3 421.585 3.796 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501387592 1004383642 /nfs/dbraw/zinc/38/36/42/1004383642.db2.gz IADCSYLSISTWLD-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501387592 1004383649 /nfs/dbraw/zinc/38/36/49/1004383649.db2.gz IADCSYLSISTWLD-JTHBVZDNSA-N 1 3 400.611 3.805 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391656 1004386574 /nfs/dbraw/zinc/38/65/74/1004386574.db2.gz MXORZUICMDFBIS-UCFCWBNQSA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391656 1004386585 /nfs/dbraw/zinc/38/65/85/1004386585.db2.gz MXORZUICMDFBIS-UCFCWBNQSA-N 1 3 424.589 3.508 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CN1Cc1ccccc1 ZINC000512616821 1004429609 /nfs/dbraw/zinc/42/96/09/1004429609.db2.gz CTTFNOWIHKLAHM-FXSWLTOZSA-N 1 3 417.597 3.925 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@@H]1C ZINC000512800966 1004567144 /nfs/dbraw/zinc/56/71/44/1004567144.db2.gz BTKPRNKNLZFQSG-VCOUNFBDSA-N 1 3 404.599 3.591 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C[C@@H]1C ZINC000512800966 1004567147 /nfs/dbraw/zinc/56/71/47/1004567147.db2.gz BTKPRNKNLZFQSG-VCOUNFBDSA-N 1 3 404.599 3.591 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525342 1004654065 /nfs/dbraw/zinc/65/40/65/1004654065.db2.gz MWAPZZQVBROGHV-HARLFGEKSA-N 1 3 400.611 3.804 20 0 HHADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)N(C)C)cc1 ZINC000510525342 1004654151 /nfs/dbraw/zinc/65/41/51/1004654151.db2.gz MWAPZZQVBROGHV-HARLFGEKSA-N 1 3 400.611 3.804 20 0 HHADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544867 1004677246 /nfs/dbraw/zinc/67/72/46/1004677246.db2.gz JQMLJTVCIHLSNP-NLWGTHIKSA-N 1 3 404.624 3.837 20 0 HHADHO C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544867 1004677255 /nfs/dbraw/zinc/67/72/55/1004677255.db2.gz JQMLJTVCIHLSNP-NLWGTHIKSA-N 1 3 404.624 3.837 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000512911764 1004681984 /nfs/dbraw/zinc/68/19/84/1004681984.db2.gz JWTWDSAGJHRKIT-FYYLOGMGSA-N 1 3 416.610 3.736 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000512919522 1004691407 /nfs/dbraw/zinc/69/14/07/1004691407.db2.gz ZXISDTNPKOICBA-IRLDBZIGSA-N 1 3 404.599 3.592 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000512919522 1004691413 /nfs/dbraw/zinc/69/14/13/1004691413.db2.gz ZXISDTNPKOICBA-IRLDBZIGSA-N 1 3 404.599 3.592 20 0 HHADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000501768480 1004705418 /nfs/dbraw/zinc/70/54/18/1004705418.db2.gz WATKTMXMERUJLN-IBGZPJMESA-N 1 3 410.400 3.604 20 0 HHADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501768480 1004705424 /nfs/dbraw/zinc/70/54/24/1004705424.db2.gz WATKTMXMERUJLN-IBGZPJMESA-N 1 3 410.400 3.604 20 0 HHADHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782860 1004724099 /nfs/dbraw/zinc/72/40/99/1004724099.db2.gz WVCOUOZXZZHEMJ-YADHBBJMSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782860 1004724105 /nfs/dbraw/zinc/72/41/05/1004724105.db2.gz WVCOUOZXZZHEMJ-YADHBBJMSA-N 1 3 409.578 3.842 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000513084922 1004797603 /nfs/dbraw/zinc/79/76/03/1004797603.db2.gz YFCDPFIKHWUOEW-UHFFFAOYSA-N 1 3 420.601 3.565 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000513084922 1004797612 /nfs/dbraw/zinc/79/76/12/1004797612.db2.gz YFCDPFIKHWUOEW-UHFFFAOYSA-N 1 3 420.601 3.565 20 0 HHADHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCc3ccc(Br)cc32)c1 ZINC000510740955 1004826940 /nfs/dbraw/zinc/82/69/40/1004826940.db2.gz WUVWBLZSDNBUOM-HXUWFJFHSA-N 1 3 416.363 3.518 20 0 HHADHO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000510942854 1004946377 /nfs/dbraw/zinc/94/63/77/1004946377.db2.gz COFSSEYCCZCXJR-ASDGIDEWSA-N 1 3 417.597 3.720 20 0 HHADHO C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309446 1005118588 /nfs/dbraw/zinc/11/85/88/1005118588.db2.gz ROGPGFFSLFBEPV-FYYLOGMGSA-N 1 3 414.638 3.845 20 0 HHADHO C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309446 1005118591 /nfs/dbraw/zinc/11/85/91/1005118591.db2.gz ROGPGFFSLFBEPV-FYYLOGMGSA-N 1 3 414.638 3.845 20 0 HHADHO C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511309475 1005119037 /nfs/dbraw/zinc/11/90/37/1005119037.db2.gz ROGPGFFSLFBEPV-JTHBVZDNSA-N 1 3 414.638 3.845 20 0 HHADHO C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511309475 1005119044 /nfs/dbraw/zinc/11/90/44/1005119044.db2.gz ROGPGFFSLFBEPV-JTHBVZDNSA-N 1 3 414.638 3.845 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000513831118 1005150249 /nfs/dbraw/zinc/15/02/49/1005150249.db2.gz KMVRWMCNRSDJTK-SFTDATJTSA-N 1 3 415.622 3.880 20 0 HHADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453744 1005183167 /nfs/dbraw/zinc/18/31/67/1005183167.db2.gz KUQPZEVKKBLCDF-GHBBCFCZSA-N 1 3 407.986 3.609 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)N(CCN(C)C)Cc3cccc(F)c3)CC2)CC1 ZINC000502796169 1005221126 /nfs/dbraw/zinc/22/11/26/1005221126.db2.gz ZVUIKBIWEFTPQP-UHFFFAOYSA-N 1 3 418.601 3.942 20 0 HHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086550 1005259466 /nfs/dbraw/zinc/25/94/66/1005259466.db2.gz BEYQFDZQSZNIMS-RYFZRTLDSA-N 1 3 409.977 3.703 20 0 HHADHO Cc1nc(COc2ccc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000514235046 1005325824 /nfs/dbraw/zinc/32/58/24/1005325824.db2.gz WIIXHQGNFDWZLI-QHCPKHFHSA-N 1 3 423.582 3.887 20 0 HHADHO Cc1nc(COc2ccc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000514235046 1005325827 /nfs/dbraw/zinc/32/58/27/1005325827.db2.gz WIIXHQGNFDWZLI-QHCPKHFHSA-N 1 3 423.582 3.887 20 0 HHADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000504434633 1005627942 /nfs/dbraw/zinc/62/79/42/1005627942.db2.gz DWEYDRFJMKZJJA-NRFANRHFSA-N 1 3 423.605 3.729 20 0 HHADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000504434633 1005627945 /nfs/dbraw/zinc/62/79/45/1005627945.db2.gz DWEYDRFJMKZJJA-NRFANRHFSA-N 1 3 423.605 3.729 20 0 HHADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000531380540 1006162965 /nfs/dbraw/zinc/16/29/65/1006162965.db2.gz HDNULBHCKUFSIX-LJQANCHMSA-N 1 3 422.525 3.882 20 0 HHADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000531709583 1006369167 /nfs/dbraw/zinc/36/91/67/1006369167.db2.gz XZWPORWOWOKOQF-CJFMBICVSA-N 1 3 403.574 3.820 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183867 1006703231 /nfs/dbraw/zinc/70/32/31/1006703231.db2.gz UGBFYTOOXIBSIW-QPPBQGQZSA-N 1 3 412.622 3.797 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183867 1006703244 /nfs/dbraw/zinc/70/32/44/1006703244.db2.gz UGBFYTOOXIBSIW-QPPBQGQZSA-N 1 3 412.622 3.797 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000538499166 1006767958 /nfs/dbraw/zinc/76/79/58/1006767958.db2.gz XXAYUTXMSXKFIY-QFIPXVFZSA-N 1 3 408.590 3.596 20 0 HHADHO C[C@H]1CCc2c(sc3nc(CCN4CCC(CC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000532486491 1006926225 /nfs/dbraw/zinc/92/62/25/1006926225.db2.gz WFGYQLANWYNCNB-HNNXBMFYSA-N 1 3 401.624 3.605 20 0 HHADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532506823 1006946938 /nfs/dbraw/zinc/94/69/38/1006946938.db2.gz NJSJKKUHYBUXLS-JYBLXFRWSA-N 1 3 413.587 3.904 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000538723849 1007000710 /nfs/dbraw/zinc/00/07/10/1007000710.db2.gz DETVECICVDPUJH-CJFMBICVSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000538723849 1007000725 /nfs/dbraw/zinc/00/07/25/1007000725.db2.gz DETVECICVDPUJH-CJFMBICVSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000538724317 1007001194 /nfs/dbraw/zinc/00/11/94/1007001194.db2.gz DPRIXBFTKQZLAU-LAUBAEHRSA-N 1 3 403.517 3.899 20 0 HHADHO C[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000538724317 1007001206 /nfs/dbraw/zinc/00/12/06/1007001206.db2.gz DPRIXBFTKQZLAU-LAUBAEHRSA-N 1 3 403.517 3.899 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582065 1007166897 /nfs/dbraw/zinc/16/68/97/1007166897.db2.gz PTRYXUHOJWHKKO-WMZHIEFXSA-N 1 3 412.553 3.734 20 0 HHADHO C[C@@H](C(=O)N1CCc2sccc2C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538947210 1007232708 /nfs/dbraw/zinc/23/27/08/1007232708.db2.gz YZWBDKKPUNTUSG-SFHVURJKSA-N 1 3 412.603 3.655 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1N(C)C ZINC000539071211 1007363038 /nfs/dbraw/zinc/36/30/38/1007363038.db2.gz PDZNKEFHUXXVPZ-SFHVURJKSA-N 1 3 412.553 3.568 20 0 HHADHO COc1ccc2oc([C@H](C)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)c(C)c2c1 ZINC000539074021 1007365376 /nfs/dbraw/zinc/36/53/76/1007365376.db2.gz STLUTFUVWCFANK-KRWDZBQOSA-N 1 3 409.530 3.892 20 0 HHADHO CN1CC[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000535397311 1007462949 /nfs/dbraw/zinc/46/29/49/1007462949.db2.gz NIUALENPGGJVJT-LOSJGSFVSA-N 1 3 420.601 3.985 20 0 HHADHO CN1CC[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000535397311 1007462954 /nfs/dbraw/zinc/46/29/54/1007462954.db2.gz NIUALENPGGJVJT-LOSJGSFVSA-N 1 3 420.601 3.985 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000539306582 1007604338 /nfs/dbraw/zinc/60/43/38/1007604338.db2.gz KFOXAGLZDFNUHO-KXBFYZLASA-N 1 3 412.441 3.849 20 0 HHADHO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000533737372 1008062918 /nfs/dbraw/zinc/06/29/18/1008062918.db2.gz SLFATDBKJQLLLE-KRWDZBQOSA-N 1 3 421.655 3.836 20 0 HHADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000536100526 1008124656 /nfs/dbraw/zinc/12/46/56/1008124656.db2.gz VWNHIRNWKMZRRP-ISKFKSNPSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045473 1008254644 /nfs/dbraw/zinc/25/46/44/1008254644.db2.gz PAOPDFVUXPZNSB-UXHICEINSA-N 1 3 406.574 3.986 20 0 HHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000540160856 1008316883 /nfs/dbraw/zinc/31/68/83/1008316883.db2.gz OXROFDGAQHBERK-ZECSIRQKSA-N 1 3 420.569 3.802 20 0 HHADHO COc1cc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1SC ZINC000540171271 1008321128 /nfs/dbraw/zinc/32/11/28/1008321128.db2.gz QADXQHRRRBIYDS-INIZCTEOSA-N 1 3 401.576 3.559 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000540172777 1008322094 /nfs/dbraw/zinc/32/20/94/1008322094.db2.gz UXTKMEHOKLKASN-WIOPSUGQSA-N 1 3 421.585 3.770 20 0 HHADHO CCOC(=O)COc1ccc(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000540187191 1008327801 /nfs/dbraw/zinc/32/78/01/1008327801.db2.gz VENOIAZNMUURIQ-KNQAVFIVSA-N 1 3 402.579 3.804 20 0 HHADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264840 1008360517 /nfs/dbraw/zinc/36/05/17/1008360517.db2.gz LWTQDPYBCXTATN-ROUUACIJSA-N 1 3 401.576 3.559 20 0 HHADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540264840 1008360522 /nfs/dbraw/zinc/36/05/22/1008360522.db2.gz LWTQDPYBCXTATN-ROUUACIJSA-N 1 3 401.576 3.559 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612972 1008365608 /nfs/dbraw/zinc/36/56/08/1008365608.db2.gz OBEPLZXDIOUAAE-UXHICEINSA-N 1 3 404.624 3.791 20 0 HHADHO Cc1c([C@@H](C)NCCc2ccc(OCC[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC000540396679 1008415798 /nfs/dbraw/zinc/41/57/98/1008415798.db2.gz AOBOOMPWPKLEIN-HXUWFJFHSA-N 1 3 419.573 3.944 20 0 HHADHO CCC(CC)[C@H](C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21)N1CCOCC1 ZINC000540461402 1008441055 /nfs/dbraw/zinc/44/10/55/1008441055.db2.gz OOVXGDJLSXWVIN-GOTSBHOMSA-N 1 3 415.622 3.701 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1cc(F)cc3c1OCOC3)c1ccccc1O2 ZINC000540495718 1008455389 /nfs/dbraw/zinc/45/53/89/1008455389.db2.gz GJGJLVBSLUECSV-OAQYLSRUSA-N 1 3 412.505 3.813 20 0 HHADHO CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000519100179 1008533083 /nfs/dbraw/zinc/53/30/83/1008533083.db2.gz KRENTTAJYZCZCF-QHCPKHFHSA-N 1 3 414.594 3.950 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000519507270 1008879504 /nfs/dbraw/zinc/87/95/04/1008879504.db2.gz VQOFBTMUFBQGLZ-SFHVURJKSA-N 1 3 410.553 3.550 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000519507270 1008879519 /nfs/dbraw/zinc/87/95/19/1008879519.db2.gz VQOFBTMUFBQGLZ-SFHVURJKSA-N 1 3 410.553 3.550 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520111931 1009268441 /nfs/dbraw/zinc/26/84/41/1009268441.db2.gz MMKWHELHIVQRSA-SJBKTWHCSA-N 1 3 403.586 3.912 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)N(C)C)cc1 ZINC000520127186 1009280394 /nfs/dbraw/zinc/28/03/94/1009280394.db2.gz DTSUKMLENNMUCB-HSZRJFAPSA-N 1 3 414.569 3.764 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775951 1009345243 /nfs/dbraw/zinc/34/52/43/1009345243.db2.gz SJMTUURQWDAFJF-DYESRHJHSA-N 1 3 414.546 3.520 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775951 1009345259 /nfs/dbraw/zinc/34/52/59/1009345259.db2.gz SJMTUURQWDAFJF-DYESRHJHSA-N 1 3 414.546 3.520 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000543998236 1009598796 /nfs/dbraw/zinc/59/87/96/1009598796.db2.gz PDUWOMXHFMVCAC-QZTJIDSGSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000543998236 1009598805 /nfs/dbraw/zinc/59/88/05/1009598805.db2.gz PDUWOMXHFMVCAC-QZTJIDSGSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000543998236 1009598813 /nfs/dbraw/zinc/59/88/13/1009598813.db2.gz PDUWOMXHFMVCAC-QZTJIDSGSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000521070040 1010086587 /nfs/dbraw/zinc/08/65/87/1010086587.db2.gz CNIMDXQDUFNBOW-IBGZPJMESA-N 1 3 409.018 3.925 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000521070040 1010086604 /nfs/dbraw/zinc/08/66/04/1010086604.db2.gz CNIMDXQDUFNBOW-IBGZPJMESA-N 1 3 409.018 3.925 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)CC1 ZINC000521117402 1010138948 /nfs/dbraw/zinc/13/89/48/1010138948.db2.gz ODWBUGNQUYPFAS-QZTJIDSGSA-N 1 3 410.389 3.772 20 0 HHADHO CN1CC[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005624 1010312247 /nfs/dbraw/zinc/31/22/47/1010312247.db2.gz MRXWJOLSVUTPPF-UIOOFZCWSA-N 1 3 406.618 3.619 20 0 HHADHO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547828484 1010441264 /nfs/dbraw/zinc/44/12/64/1010441264.db2.gz LKSHPDJWVHURAI-OPHFCASCSA-N 1 3 411.565 3.699 20 0 HHADHO CC(C)COc1ccc(C(C)(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000521671594 1010539849 /nfs/dbraw/zinc/53/98/49/1010539849.db2.gz HIKVTEHOIZXUGF-UHFFFAOYSA-N 1 3 415.622 3.674 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000521686017 1010549957 /nfs/dbraw/zinc/54/99/57/1010549957.db2.gz VGTSZPSLMOSVNJ-XXBNENTESA-N 1 3 412.553 3.734 20 0 HHADHO Cc1ccc(COc2ccc(CNC3CC[NH+](CCC(=O)N(C)C)CC3)cc2)cc1 ZINC000521840151 1010652059 /nfs/dbraw/zinc/65/20/59/1010652059.db2.gz CTXLVQXVDOQNEB-UHFFFAOYSA-N 1 3 409.574 3.606 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000545302355 1010721504 /nfs/dbraw/zinc/72/15/04/1010721504.db2.gz RFYJOPVORPWGDD-QHCPKHFHSA-N 1 3 402.627 3.905 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000545302355 1010721510 /nfs/dbraw/zinc/72/15/10/1010721510.db2.gz RFYJOPVORPWGDD-QHCPKHFHSA-N 1 3 402.627 3.905 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000522294050 1010911086 /nfs/dbraw/zinc/91/10/86/1010911086.db2.gz UGZNKMXSHICWPO-HSZRJFAPSA-N 1 3 400.611 3.805 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000522294050 1010911091 /nfs/dbraw/zinc/91/10/91/1010911091.db2.gz UGZNKMXSHICWPO-HSZRJFAPSA-N 1 3 400.611 3.805 20 0 HHADHO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522865926 1011306739 /nfs/dbraw/zinc/30/67/39/1011306739.db2.gz LTVWWCXDXYQHIT-QFIPXVFZSA-N 1 3 424.614 3.524 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341091 1011819580 /nfs/dbraw/zinc/81/95/80/1011819580.db2.gz YULBSYQJSVFZHA-CTNGQTDRSA-N 1 3 400.592 3.554 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000523341091 1011819593 /nfs/dbraw/zinc/81/95/93/1011819593.db2.gz YULBSYQJSVFZHA-CTNGQTDRSA-N 1 3 400.592 3.554 20 0 HHADHO COc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OCc1ccc(F)cc1 ZINC000536675538 1011836604 /nfs/dbraw/zinc/83/66/04/1011836604.db2.gz UXGTWFBKSCDQMT-UHFFFAOYSA-N 1 3 416.537 3.956 20 0 HHADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472955 1011982181 /nfs/dbraw/zinc/98/21/81/1011982181.db2.gz HWCHDBTWTKYHHI-URXFXBBRSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472955 1011982187 /nfs/dbraw/zinc/98/21/87/1011982187.db2.gz HWCHDBTWTKYHHI-URXFXBBRSA-N 1 3 408.590 3.813 20 0 HHADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057574 1012075089 /nfs/dbraw/zinc/07/50/89/1012075089.db2.gz GXFMVAMFCVTZTN-NRFANRHFSA-N 1 3 407.549 3.723 20 0 HHADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552057574 1012075106 /nfs/dbraw/zinc/07/51/06/1012075106.db2.gz GXFMVAMFCVTZTN-NRFANRHFSA-N 1 3 407.549 3.723 20 0 HHADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860022 1012093887 /nfs/dbraw/zinc/09/38/87/1012093887.db2.gz VWUVTJQRBIDAJV-IBGZPJMESA-N 1 3 415.603 3.918 20 0 HHADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000536860022 1012093906 /nfs/dbraw/zinc/09/39/06/1012093906.db2.gz VWUVTJQRBIDAJV-IBGZPJMESA-N 1 3 415.603 3.918 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114232 1012131537 /nfs/dbraw/zinc/13/15/37/1012131537.db2.gz BBNIOUCCWZKDST-NHCUHLMSSA-N 1 3 407.549 3.628 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000552114232 1012131550 /nfs/dbraw/zinc/13/15/50/1012131550.db2.gz BBNIOUCCWZKDST-NHCUHLMSSA-N 1 3 407.549 3.628 20 0 HHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@H]3C2)cc1 ZINC000552297623 1012308618 /nfs/dbraw/zinc/30/86/18/1012308618.db2.gz CKFFARKKXPNTCO-PPGORRQASA-N 1 3 408.546 3.667 20 0 HHADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CC[C@@H](c5nc(C6CC6)no5)O4)[C@@H]3C2)cc1 ZINC000552297622 1012309216 /nfs/dbraw/zinc/30/92/16/1012309216.db2.gz CKFFARKKXPNTCO-POHUPDAJSA-N 1 3 408.546 3.667 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599466 1012391309 /nfs/dbraw/zinc/39/13/09/1012391309.db2.gz FVAOWGDOJIQWDY-DAYGRLMNSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599466 1012391327 /nfs/dbraw/zinc/39/13/27/1012391327.db2.gz FVAOWGDOJIQWDY-DAYGRLMNSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599467 1012391910 /nfs/dbraw/zinc/39/19/10/1012391910.db2.gz FVAOWGDOJIQWDY-HDMKZQKVSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599467 1012391923 /nfs/dbraw/zinc/39/19/23/1012391923.db2.gz FVAOWGDOJIQWDY-HDMKZQKVSA-N 1 3 401.378 3.976 20 0 HHADHO COC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000537102480 1012467663 /nfs/dbraw/zinc/46/76/63/1012467663.db2.gz DRVJICNDVNMJME-QHCPKHFHSA-N 1 3 403.517 3.844 20 0 HHADHO COC[C@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000537102480 1012467669 /nfs/dbraw/zinc/46/76/69/1012467669.db2.gz DRVJICNDVNMJME-QHCPKHFHSA-N 1 3 403.517 3.844 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccccc1O2 ZINC000537190937 1012603584 /nfs/dbraw/zinc/60/35/84/1012603584.db2.gz HYQACOQNJHRPDW-NRFANRHFSA-N 1 3 411.521 3.523 20 0 HHADHO CSC[C@@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913395 1012770770 /nfs/dbraw/zinc/77/07/70/1012770770.db2.gz IXACEOLVJDCKIA-MSOLQXFVSA-N 1 3 417.541 3.642 20 0 HHADHO CSC[C@@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000541913395 1012770784 /nfs/dbraw/zinc/77/07/84/1012770784.db2.gz IXACEOLVJDCKIA-MSOLQXFVSA-N 1 3 417.541 3.642 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000552927726 1012926233 /nfs/dbraw/zinc/92/62/33/1012926233.db2.gz BOFTYKMJZVUKRO-INIZCTEOSA-N 1 3 409.521 3.662 20 0 HHADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000569098063 1071987431 /nfs/dbraw/zinc/98/74/31/1071987431.db2.gz ODGYXIFDZNWFRM-VWLOTQADSA-N 1 3 420.601 3.842 20 0 HHADHO COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272050 1072058628 /nfs/dbraw/zinc/05/86/28/1072058628.db2.gz KBHSHFOUPLSSLC-DNQXCXABSA-N 1 3 406.570 3.918 20 0 HHADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCOc1ccc(Br)cc1 ZINC001168285025 1072424413 /nfs/dbraw/zinc/42/44/13/1072424413.db2.gz QIQGEMHIBVZHOK-HOJAQTOUSA-N 1 3 411.384 3.792 20 0 HHADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377857 1072530085 /nfs/dbraw/zinc/53/00/85/1072530085.db2.gz LXTOYSZWUDVWGG-NRFANRHFSA-N 1 3 403.636 3.678 20 0 HHADHO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380465 1072707553 /nfs/dbraw/zinc/70/75/53/1072707553.db2.gz SWBAGZPKPCDILD-JWQCQUIFSA-N 1 3 413.606 3.652 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186287 1073249008 /nfs/dbraw/zinc/24/90/08/1073249008.db2.gz QYIZFSGIWNGPDL-PCCBWWKXSA-N 1 3 400.954 3.687 20 0 HHADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000555186287 1073249010 /nfs/dbraw/zinc/24/90/10/1073249010.db2.gz QYIZFSGIWNGPDL-PCCBWWKXSA-N 1 3 400.954 3.687 20 0 HHADHO O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523940 1073596971 /nfs/dbraw/zinc/59/69/71/1073596971.db2.gz AHQGKAPJMZDXMZ-OZXSUGGESA-N 1 3 403.570 3.747 20 0 HHADHO O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523940 1073596980 /nfs/dbraw/zinc/59/69/80/1073596980.db2.gz AHQGKAPJMZDXMZ-OZXSUGGESA-N 1 3 403.570 3.747 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000591092153 1074107752 /nfs/dbraw/zinc/10/77/52/1074107752.db2.gz HMXSHCSLIGSPKC-REWPJTCUSA-N 1 3 409.574 3.973 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000591092153 1074107756 /nfs/dbraw/zinc/10/77/56/1074107756.db2.gz HMXSHCSLIGSPKC-REWPJTCUSA-N 1 3 409.574 3.973 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000575208286 1075485799 /nfs/dbraw/zinc/48/57/99/1075485799.db2.gz CYKGSOYNRPGLOH-HSZRJFAPSA-N 1 3 418.626 3.838 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000575208286 1075485801 /nfs/dbraw/zinc/48/58/01/1075485801.db2.gz CYKGSOYNRPGLOH-HSZRJFAPSA-N 1 3 418.626 3.838 20 0 HHADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792726 1075510436 /nfs/dbraw/zinc/51/04/36/1075510436.db2.gz CYBMPBHLJHBVID-OAQYLSRUSA-N 1 3 422.658 3.611 20 0 HHADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595792726 1075510438 /nfs/dbraw/zinc/51/04/38/1075510438.db2.gz CYBMPBHLJHBVID-OAQYLSRUSA-N 1 3 422.658 3.611 20 0 HHADHO C[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)N(C)Cc1ccccc1 ZINC000601338778 1075605795 /nfs/dbraw/zinc/60/57/95/1075605795.db2.gz LJVOQMIHLMFGGY-OAQYLSRUSA-N 1 3 400.611 3.805 20 0 HHADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877602 721179470 /nfs/dbraw/zinc/17/94/70/721179470.db2.gz OYLSTQXREXUXCO-RBZQAINGSA-N 1 3 421.589 3.503 20 0 HHADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164877602 721179478 /nfs/dbraw/zinc/17/94/78/721179478.db2.gz OYLSTQXREXUXCO-RBZQAINGSA-N 1 3 421.589 3.503 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303004808 971448670 /nfs/dbraw/zinc/44/86/70/971448670.db2.gz PACNOAWVSDCBES-NRFANRHFSA-N 1 3 415.528 3.767 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303004808 971448680 /nfs/dbraw/zinc/44/86/80/971448680.db2.gz PACNOAWVSDCBES-NRFANRHFSA-N 1 3 415.528 3.767 20 0 HHADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000303078958 971492138 /nfs/dbraw/zinc/49/21/38/971492138.db2.gz SURYOJTUOKFRSE-LADGPHEKSA-N 1 3 409.549 3.991 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520127 971821444 /nfs/dbraw/zinc/82/14/44/971821444.db2.gz YVVZSEKSURFMEE-YKSBVNFPSA-N 1 3 424.589 3.652 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520127 971821449 /nfs/dbraw/zinc/82/14/49/971821449.db2.gz YVVZSEKSURFMEE-YKSBVNFPSA-N 1 3 424.589 3.652 20 0 HHADHO Cc1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc(C)c1OCc1ccccn1 ZINC000303748679 972001424 /nfs/dbraw/zinc/00/14/24/972001424.db2.gz HAMKMYNPHYCXRJ-NRFANRHFSA-N 1 3 409.574 3.868 20 0 HHADHO COC(=O)CCn1nc(C)c(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000537621887 1013169019 /nfs/dbraw/zinc/16/90/19/1013169019.db2.gz GXFJZWOHJJZJEI-SFHVURJKSA-N 1 3 404.599 3.540 20 0 HHADHO COC(=O)CCn1nc(C)c(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000537621887 1013169030 /nfs/dbraw/zinc/16/90/30/1013169030.db2.gz GXFJZWOHJJZJEI-SFHVURJKSA-N 1 3 404.599 3.540 20 0 HHADHO COc1cc2c(c(CN(C)CCC3CC[NH+](C4CCN(C)CC4)CC3)c1)O[C@H](C)C2 ZINC000537622286 1013169535 /nfs/dbraw/zinc/16/95/35/1013169535.db2.gz UVBAUHAVYBPALI-LJQANCHMSA-N 1 3 415.622 3.647 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631295 1013185508 /nfs/dbraw/zinc/18/55/08/1013185508.db2.gz JYLXTZYWRXSBCD-NRFANRHFSA-N 1 3 414.638 3.593 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000537631295 1013185517 /nfs/dbraw/zinc/18/55/17/1013185517.db2.gz JYLXTZYWRXSBCD-NRFANRHFSA-N 1 3 414.638 3.593 20 0 HHADHO Cc1ccc([C@H]2CCN([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000542316191 1013273022 /nfs/dbraw/zinc/27/30/22/1013273022.db2.gz PXOVGQLMDAAJSR-URXFXBBRSA-N 1 3 405.586 3.954 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000542464029 1013411454 /nfs/dbraw/zinc/41/14/54/1013411454.db2.gz WDZJLNZLDWUIJU-QZTJIDSGSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000542464029 1013411461 /nfs/dbraw/zinc/41/14/61/1013411461.db2.gz WDZJLNZLDWUIJU-QZTJIDSGSA-N 1 3 400.567 3.606 20 0 HHADHO CCc1ccc([C@@H]2CCCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000553534704 1013431953 /nfs/dbraw/zinc/43/19/53/1013431953.db2.gz ZWQXLBKIWJDKFW-JOCHJYFZSA-N 1 3 412.622 3.697 20 0 HHADHO Cc1ccc(C)c(OCCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050796996 964398689 /nfs/dbraw/zinc/39/86/89/964398689.db2.gz CDDRUSGVYZHETN-UHFFFAOYSA-N 1 3 401.595 3.527 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000051760723 964689026 /nfs/dbraw/zinc/68/90/26/964689026.db2.gz BMCWTSTYMKKICO-OAQYLSRUSA-N 1 3 404.986 3.745 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000051760727 964689643 /nfs/dbraw/zinc/68/96/43/964689643.db2.gz BMCWTSTYMKKICO-NRFANRHFSA-N 1 3 404.986 3.745 20 0 HHADHO CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761111 964689767 /nfs/dbraw/zinc/68/97/67/964689767.db2.gz SIHRUTJKUPYCPM-BJKOFHAPSA-N 1 3 412.622 3.913 20 0 HHADHO C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681503 1013543073 /nfs/dbraw/zinc/54/30/73/1013543073.db2.gz PAOLFIPELXHLLD-RBBKRZOGSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681503 1013543079 /nfs/dbraw/zinc/54/30/79/1013543079.db2.gz PAOLFIPELXHLLD-RBBKRZOGSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)s1 ZINC000537969477 1013546832 /nfs/dbraw/zinc/54/68/32/1013546832.db2.gz BPIKRUKQLOYDDA-ZDUSSCGKSA-N 1 3 410.381 3.653 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000537972037 1013548603 /nfs/dbraw/zinc/54/86/03/1013548603.db2.gz SLPPDIANYPJZEN-HSZRJFAPSA-N 1 3 409.599 3.632 20 0 HHADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537972582 1013549745 /nfs/dbraw/zinc/54/97/45/1013549745.db2.gz QZVAJMVCIJJEQE-QHCPKHFHSA-N 1 3 407.558 3.824 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000054920606 965699818 /nfs/dbraw/zinc/69/98/18/965699818.db2.gz VWZPTVIFTDOZGW-OAQYLSRUSA-N 1 3 412.603 3.980 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000058533614 965772416 /nfs/dbraw/zinc/77/24/16/965772416.db2.gz IXWMNEPHKNVPJP-WOJBJXKFSA-N 1 3 401.599 3.521 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000058533614 965772426 /nfs/dbraw/zinc/77/24/26/965772426.db2.gz IXWMNEPHKNVPJP-WOJBJXKFSA-N 1 3 401.599 3.521 20 0 HHADHO COc1ccc(Cc2nc(C)c([C@@H](C)NCC3=CC[N@H+](C)CC3)s2)cc1OC ZINC000553787035 1013614469 /nfs/dbraw/zinc/61/44/69/1013614469.db2.gz IRBQTSLBDNEAJA-OAHLLOKOSA-N 1 3 401.576 3.972 20 0 HHADHO COc1ccc(Cc2nc(C)c([C@@H](C)NCC3=CC[N@@H+](C)CC3)s2)cc1OC ZINC000553787035 1013614474 /nfs/dbraw/zinc/61/44/74/1013614474.db2.gz IRBQTSLBDNEAJA-OAHLLOKOSA-N 1 3 401.576 3.972 20 0 HHADHO CC[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000031664308 966079470 /nfs/dbraw/zinc/07/94/70/966079470.db2.gz BZINXQLPVLLLCP-RUZDIDTESA-N 1 3 420.601 3.787 20 0 HHADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000542712719 1013625280 /nfs/dbraw/zinc/62/52/80/1013625280.db2.gz MITNESBXMNLKML-REWPJTCUSA-N 1 3 400.611 3.831 20 0 HHADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000060581668 966215806 /nfs/dbraw/zinc/21/58/06/966215806.db2.gz YPQHMNBXDYXFID-VWLOTQADSA-N 1 3 405.586 3.942 20 0 HHADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000060581668 966215813 /nfs/dbraw/zinc/21/58/13/966215813.db2.gz YPQHMNBXDYXFID-VWLOTQADSA-N 1 3 405.586 3.942 20 0 HHADHO COc1c(Br)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000037409507 966474648 /nfs/dbraw/zinc/47/46/48/966474648.db2.gz MKSGMRRCEOXPST-NSHDSACASA-N 1 3 418.173 3.794 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100479 1013669583 /nfs/dbraw/zinc/66/95/83/1013669583.db2.gz FQFYYDCYQOXPQB-UPVQGACJSA-N 1 3 409.574 3.879 20 0 HHADHO COc1ccc([C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C(C)C)cc1 ZINC000538100479 1013669586 /nfs/dbraw/zinc/66/95/86/1013669586.db2.gz FQFYYDCYQOXPQB-UPVQGACJSA-N 1 3 409.574 3.879 20 0 HHADHO C[NH+](C)[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000063149269 966762890 /nfs/dbraw/zinc/76/28/90/966762890.db2.gz HXGYAYJHMPFAJS-JOCHJYFZSA-N 1 3 402.652 3.626 20 0 HHADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000063464037 966866581 /nfs/dbraw/zinc/86/65/81/966866581.db2.gz LBYDRHIQDGTUQO-RPBOFIJWSA-N 1 3 420.601 3.862 20 0 HHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000063464037 966866583 /nfs/dbraw/zinc/86/65/83/966866583.db2.gz LBYDRHIQDGTUQO-RPBOFIJWSA-N 1 3 420.601 3.862 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000064229353 967094831 /nfs/dbraw/zinc/09/48/31/967094831.db2.gz NLRMIBZJXIXEJZ-UHFFFAOYSA-N 1 3 418.532 3.690 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000064229353 967094843 /nfs/dbraw/zinc/09/48/43/967094843.db2.gz NLRMIBZJXIXEJZ-UHFFFAOYSA-N 1 3 418.532 3.690 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000045976239 967614185 /nfs/dbraw/zinc/61/41/85/967614185.db2.gz AFWKUVCRZXJJJB-OAQYLSRUSA-N 1 3 415.626 3.913 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)c(C)c2)CC1 ZINC000045976239 967614191 /nfs/dbraw/zinc/61/41/91/967614191.db2.gz AFWKUVCRZXJJJB-OAQYLSRUSA-N 1 3 415.626 3.913 20 0 HHADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1 ZINC000538274951 1013814867 /nfs/dbraw/zinc/81/48/67/1013814867.db2.gz OFROVAKQYGHVEV-JOCHJYFZSA-N 1 3 413.606 3.991 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000096625541 969048927 /nfs/dbraw/zinc/04/89/27/969048927.db2.gz KHXSCEFEEXGFRA-UHFFFAOYSA-N 1 3 406.574 3.679 20 0 HHADHO Cc1ccc([C@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)N(C)C)cc1 ZINC000109899847 969590043 /nfs/dbraw/zinc/59/00/43/969590043.db2.gz NBFANCDVYVBTEM-DEOSSOPVSA-N 1 3 408.590 3.558 20 0 HHADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000110909000 969739815 /nfs/dbraw/zinc/73/98/15/969739815.db2.gz FHRNMOOCVJMAEO-UHFFFAOYSA-N 1 3 410.949 3.692 20 0 HHADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000110909000 969739820 /nfs/dbraw/zinc/73/98/20/969739820.db2.gz FHRNMOOCVJMAEO-UHFFFAOYSA-N 1 3 410.949 3.692 20 0 HHADHO COc1cc([C@H](C)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)cn1 ZINC000554362676 1013921974 /nfs/dbraw/zinc/92/19/74/1013921974.db2.gz XQYBKHWXXWBJHE-SFHVURJKSA-N 1 3 401.526 3.951 20 0 HHADHO Cc1nc(-c2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2)cs1 ZINC000215988853 970059487 /nfs/dbraw/zinc/05/94/87/970059487.db2.gz SBNBHYUSRDMOLK-UHFFFAOYSA-N 1 3 413.591 3.799 20 0 HHADHO c1ccc(CN2CCC([NH2+]CCCCN3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000236697896 970157725 /nfs/dbraw/zinc/15/77/25/970157725.db2.gz FJIPWHVYPIDLLZ-UHFFFAOYSA-N 1 3 420.645 3.839 20 0 HHADHO CN(C)CC[NH+]1CCC(CNCc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000237165674 970234084 /nfs/dbraw/zinc/23/40/84/970234084.db2.gz HINBLJIGFSEDIQ-UHFFFAOYSA-N 1 3 423.026 3.739 20 0 HHADHO COc1ccc2ccccc2c1CNCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000237331120 970264472 /nfs/dbraw/zinc/26/44/72/970264472.db2.gz ORIXIMPKBTVDSU-UHFFFAOYSA-N 1 3 417.553 3.964 20 0 HHADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000237672700 970336112 /nfs/dbraw/zinc/33/61/12/970336112.db2.gz FIMVHILSMQBMOX-UHFFFAOYSA-N 1 3 407.562 3.666 20 0 HHADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1cccc(C(F)(F)F)c1 ZINC000238015693 970418896 /nfs/dbraw/zinc/41/88/96/970418896.db2.gz FVPKEXWRSWFHHM-NRFANRHFSA-N 1 3 422.491 3.742 20 0 HHADHO [NH3+]C1CCN([C@@H]2CCN(Cc3ccc(-c4ccc(Br)cc4)o3)C2)CC1 ZINC000393035852 972859943 /nfs/dbraw/zinc/85/99/43/972859943.db2.gz UHEZLYWFADUYLW-GOSISDBHSA-N 1 3 404.352 3.707 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000409642243 973091705 /nfs/dbraw/zinc/09/17/05/973091705.db2.gz SEEUYHNGUBBXBD-UHFFFAOYSA-N 1 3 420.601 3.501 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2cnc3ccccc3c2)CC1)Cc1ccccc1 ZINC000410410876 974008815 /nfs/dbraw/zinc/00/88/15/974008815.db2.gz ZOLKATKKYHZJIV-UHFFFAOYSA-N 1 3 416.569 3.695 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCc3ccc(OC)c(O)c3)cc2)CC1 ZINC000426418141 974439499 /nfs/dbraw/zinc/43/94/99/974439499.db2.gz DYBSYCFJNPZNKB-HXUWFJFHSA-N 1 3 411.590 3.649 20 0 HHADHO CC1CCN([C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000429074167 976358765 /nfs/dbraw/zinc/35/87/65/976358765.db2.gz FVBIUCNXQJAKQO-MHJFOBGBSA-N 1 3 406.640 3.941 20 0 HHADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486028 976746391 /nfs/dbraw/zinc/74/63/91/976746391.db2.gz BTLLVYXTRLNQAE-OFNKIYASSA-N 1 3 414.638 3.833 20 0 HHADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000429486028 976746401 /nfs/dbraw/zinc/74/64/01/976746401.db2.gz BTLLVYXTRLNQAE-OFNKIYASSA-N 1 3 414.638 3.833 20 0 HHADHO Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000429602755 976883688 /nfs/dbraw/zinc/88/36/88/976883688.db2.gz QCEUHIIONFIENQ-FCHUYYIVSA-N 1 3 424.593 3.587 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827724 977783184 /nfs/dbraw/zinc/78/31/84/977783184.db2.gz OHTCJGDOLIMUGV-AGILITTLSA-N 1 3 412.574 3.558 20 0 HHADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430827724 977783193 /nfs/dbraw/zinc/78/31/93/977783193.db2.gz OHTCJGDOLIMUGV-AGILITTLSA-N 1 3 412.574 3.558 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879569 977845614 /nfs/dbraw/zinc/84/56/14/977845614.db2.gz UBZTWFJSZWVUCW-QHCPKHFHSA-N 1 3 420.601 3.704 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000430879569 977845628 /nfs/dbraw/zinc/84/56/28/977845628.db2.gz UBZTWFJSZWVUCW-QHCPKHFHSA-N 1 3 420.601 3.704 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704397 978447737 /nfs/dbraw/zinc/44/77/37/978447737.db2.gz XARQFAFRHQMCQO-RCZVLFRGSA-N 1 3 420.601 3.957 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704397 978447741 /nfs/dbraw/zinc/44/77/41/978447741.db2.gz XARQFAFRHQMCQO-RCZVLFRGSA-N 1 3 420.601 3.957 20 0 HHADHO Cc1cc(Br)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1OC(F)F ZINC000432359705 978776905 /nfs/dbraw/zinc/77/69/05/978776905.db2.gz UDUOEEMSELWTJY-CQSZACIVSA-N 1 3 421.326 3.949 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423080 978805783 /nfs/dbraw/zinc/80/57/83/978805783.db2.gz WQSCWERCBGAWBI-JCHJZTRSSA-N 1 3 411.512 3.847 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000432423080 978805787 /nfs/dbraw/zinc/80/57/87/978805787.db2.gz WQSCWERCBGAWBI-JCHJZTRSSA-N 1 3 411.512 3.847 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000448475402 981817882 /nfs/dbraw/zinc/81/78/82/981817882.db2.gz SOXOGNLOMRYLCT-JOCHJYFZSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000448475402 981817893 /nfs/dbraw/zinc/81/78/93/981817893.db2.gz SOXOGNLOMRYLCT-JOCHJYFZSA-N 1 3 400.611 3.660 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(OC)cc2c1C ZINC000460906697 982642209 /nfs/dbraw/zinc/64/22/09/982642209.db2.gz DFMKZPISRNZRSP-KRWDZBQOSA-N 1 3 403.592 3.706 20 0 HHADHO C[C@@]1(c2ccccc2)CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438495800 982839418 /nfs/dbraw/zinc/83/94/18/982839418.db2.gz WPKUQIXLZHIIKB-XMMPIXPASA-N 1 3 409.599 3.838 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2ccccc2OC(C)(C)C)(N2CCCCC2)CC1 ZINC000438506912 982846368 /nfs/dbraw/zinc/84/63/68/982846368.db2.gz RTOMADAALXTYGB-UHFFFAOYSA-N 1 3 402.583 3.936 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438842790 983110806 /nfs/dbraw/zinc/11/08/06/983110806.db2.gz SVJDIPHVPHNQKO-RDPSFJRHSA-N 1 3 421.589 3.571 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000438842790 983110812 /nfs/dbraw/zinc/11/08/12/983110812.db2.gz SVJDIPHVPHNQKO-RDPSFJRHSA-N 1 3 421.589 3.571 20 0 HHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865651 983130484 /nfs/dbraw/zinc/13/04/84/983130484.db2.gz RZHPEHZIJSNONN-VQTJNVASSA-N 1 3 415.626 3.807 20 0 HHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000438865651 983130486 /nfs/dbraw/zinc/13/04/86/983130486.db2.gz RZHPEHZIJSNONN-VQTJNVASSA-N 1 3 415.626 3.807 20 0 HHADHO CSC1(CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)CC[NH+](C)CC1 ZINC000461510623 983157904 /nfs/dbraw/zinc/15/79/04/983157904.db2.gz FWJSVIHVFJHSIA-NRFANRHFSA-N 1 3 420.667 3.614 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438971190 983186674 /nfs/dbraw/zinc/18/66/74/983186674.db2.gz XFEXPNNENLWNKJ-FQEVSTJZSA-N 1 3 423.605 3.948 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000438974876 983189254 /nfs/dbraw/zinc/18/92/54/983189254.db2.gz PQHPOOUCGKVHHK-YKSBVNFPSA-N 1 3 423.605 3.989 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197783 983305626 /nfs/dbraw/zinc/30/56/26/983305626.db2.gz JCHPQPOQWPGDHR-GBXCKJPGSA-N 1 3 421.589 3.743 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000439214316 983313485 /nfs/dbraw/zinc/31/34/85/983313485.db2.gz SJXTTZPHYCTIJM-LJQANCHMSA-N 1 3 409.578 3.558 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000439214316 983313493 /nfs/dbraw/zinc/31/34/93/983313493.db2.gz SJXTTZPHYCTIJM-LJQANCHMSA-N 1 3 409.578 3.558 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000439765156 983529489 /nfs/dbraw/zinc/52/94/89/983529489.db2.gz DZTHFWJEBUZYCE-FQEVSTJZSA-N 1 3 424.589 3.758 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000440174132 983669542 /nfs/dbraw/zinc/66/95/42/983669542.db2.gz ICBRGSYHLJBNMG-FQEVSTJZSA-N 1 3 415.626 3.761 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1(C)C ZINC000441361063 984208499 /nfs/dbraw/zinc/20/84/99/984208499.db2.gz YPHGPNYLYFMFMW-UHFFFAOYSA-N 1 3 408.306 3.584 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1(C)C ZINC000441367195 984211986 /nfs/dbraw/zinc/21/19/86/984211986.db2.gz PWPDJMJDDAREOX-UHFFFAOYSA-N 1 3 417.601 3.714 20 0 HHADHO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000442196969 984717906 /nfs/dbraw/zinc/71/79/06/984717906.db2.gz AMUDDDXESHZCAG-UHFFFAOYSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000461729205 984743598 /nfs/dbraw/zinc/74/35/98/984743598.db2.gz PTIINSZSTHFMNZ-FYYLOGMGSA-N 1 3 400.611 3.660 20 0 HHADHO COCCN1CCC([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114857 985084112 /nfs/dbraw/zinc/08/41/12/985084112.db2.gz YJTDARXPPBEYCY-GHTZIAJQSA-N 1 3 413.528 3.789 20 0 HHADHO COCCN1CCC([NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462114860 985084753 /nfs/dbraw/zinc/08/47/53/985084753.db2.gz YJTDARXPPBEYCY-WIYYLYMNSA-N 1 3 413.528 3.789 20 0 HHADHO COCCC[NH+]1CCC(Nc2c(C)c(C)nc3ccc(Br)cc32)CC1 ZINC000462798368 985731287 /nfs/dbraw/zinc/73/12/87/985731287.db2.gz KRBJAQSTPYNZGN-UHFFFAOYSA-N 1 3 406.368 3.949 20 0 HHADHO CC1CC[NH+](CCC[C@H](NC[C@H]2CN(C3CC3)CCO2)c2ccc(F)cc2)CC1 ZINC000462800511 985733086 /nfs/dbraw/zinc/73/30/86/985733086.db2.gz FTZNBUFUXOGPKO-ZEQRLZLVSA-N 1 3 403.586 3.832 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccc(F)cc3F)C(C)(C)C)CC2)CC1 ZINC000468290916 985988740 /nfs/dbraw/zinc/98/87/40/985988740.db2.gz IXJRCDXZDWLXFL-NRFANRHFSA-N 1 3 422.564 3.910 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115169 986078750 /nfs/dbraw/zinc/07/87/50/986078750.db2.gz KKKCSNDYGXHOKD-HYBUGGRVSA-N 1 3 423.601 3.705 20 0 HHADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463115169 986078765 /nfs/dbraw/zinc/07/87/65/986078765.db2.gz KKKCSNDYGXHOKD-HYBUGGRVSA-N 1 3 423.601 3.705 20 0 HHADHO c1ccc(CC[NH+]2CCC(NC[C@H]3CSCCN3Cc3ccccc3)CC2)cc1 ZINC000463245304 986212756 /nfs/dbraw/zinc/21/27/56/986212756.db2.gz RMBKTPRCBYYBGG-VWLOTQADSA-N 1 3 409.643 3.901 20 0 HHADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CCN1Cc1ccccc1 ZINC000463244830 986213005 /nfs/dbraw/zinc/21/30/05/986213005.db2.gz YZRHPLGTLMCMEI-ZSQFBXSQSA-N 1 3 407.602 3.920 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ncc(C4CCCCC4)s3)CC2)CC1 ZINC000444926566 987073645 /nfs/dbraw/zinc/07/36/45/987073645.db2.gz BZOPTROHXKARAZ-UHFFFAOYSA-N 1 3 405.612 3.871 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000469758328 987411819 /nfs/dbraw/zinc/41/18/19/987411819.db2.gz QJRXNRANFPAOSX-ZZYHAFTGSA-N 1 3 405.586 3.581 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000469758326 987411932 /nfs/dbraw/zinc/41/19/32/987411932.db2.gz QJRXNRANFPAOSX-NHCUHLMSSA-N 1 3 405.586 3.581 20 0 HHADHO CCOc1ccc(CN(C)C(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469759840 987413544 /nfs/dbraw/zinc/41/35/44/987413544.db2.gz DSUMRNVMPVBTPA-SFTDATJTSA-N 1 3 423.601 3.790 20 0 HHADHO CCCOc1cccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000469764611 987417358 /nfs/dbraw/zinc/41/73/58/987417358.db2.gz OYNADRMIDWSRCF-SFTDATJTSA-N 1 3 423.601 3.838 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000469783323 987429885 /nfs/dbraw/zinc/42/98/85/987429885.db2.gz LYGPGLOTTPTXMI-RTBURBONSA-N 1 3 413.993 3.745 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470282845 988238385 /nfs/dbraw/zinc/23/83/85/988238385.db2.gz LKCSQHPANUWOLL-XZOQPEGZSA-N 1 3 400.611 3.516 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470282845 988238391 /nfs/dbraw/zinc/23/83/91/988238391.db2.gz LKCSQHPANUWOLL-XZOQPEGZSA-N 1 3 400.611 3.516 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733276 988766472 /nfs/dbraw/zinc/76/64/72/988766472.db2.gz QPMQQRLVRWOVKC-UPVQGACJSA-N 1 3 412.622 3.833 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733276 988766478 /nfs/dbraw/zinc/76/64/78/988766478.db2.gz QPMQQRLVRWOVKC-UPVQGACJSA-N 1 3 412.622 3.833 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733275 988766629 /nfs/dbraw/zinc/76/66/29/988766629.db2.gz QPMQQRLVRWOVKC-LADGPHEKSA-N 1 3 412.622 3.833 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2ccccc2)CC1 ZINC000470733275 988766637 /nfs/dbraw/zinc/76/66/37/988766637.db2.gz QPMQQRLVRWOVKC-LADGPHEKSA-N 1 3 412.622 3.833 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471509104 989707256 /nfs/dbraw/zinc/70/72/56/989707256.db2.gz ZBFKXVUNPNFPNA-RTWAWAEBSA-N 1 3 412.603 3.706 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471509104 989707262 /nfs/dbraw/zinc/70/72/62/989707262.db2.gz ZBFKXVUNPNFPNA-RTWAWAEBSA-N 1 3 412.603 3.706 20 0 HHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465429442 989774469 /nfs/dbraw/zinc/77/44/69/989774469.db2.gz NSHROEFOTLANPM-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000465429442 989774475 /nfs/dbraw/zinc/77/44/75/989774475.db2.gz NSHROEFOTLANPM-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000465437835 989783271 /nfs/dbraw/zinc/78/32/71/989783271.db2.gz HNAATCGNIXEMLS-UKILVPOCSA-N 1 3 420.601 3.987 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000465437835 989783275 /nfs/dbraw/zinc/78/32/75/989783275.db2.gz HNAATCGNIXEMLS-UKILVPOCSA-N 1 3 420.601 3.987 20 0 HHADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000465457588 989797345 /nfs/dbraw/zinc/79/73/45/989797345.db2.gz XCYXDKICLUCPHI-LADGPHEKSA-N 1 3 408.590 3.843 20 0 HHADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000465457588 989797351 /nfs/dbraw/zinc/79/73/51/989797351.db2.gz XCYXDKICLUCPHI-LADGPHEKSA-N 1 3 408.590 3.843 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471601969 989806299 /nfs/dbraw/zinc/80/62/99/989806299.db2.gz AFZACWWKHCJZST-IVMQYODDSA-N 1 3 418.548 3.746 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471601969 989806305 /nfs/dbraw/zinc/80/63/05/989806305.db2.gz AFZACWWKHCJZST-IVMQYODDSA-N 1 3 418.548 3.746 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccsc1 ZINC000465517284 989869528 /nfs/dbraw/zinc/86/95/28/989869528.db2.gz CGBDJESSJSPJQE-NRFANRHFSA-N 1 3 414.619 3.529 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000465523984 989878453 /nfs/dbraw/zinc/87/84/53/989878453.db2.gz COEVGSIENFWGIU-HSZRJFAPSA-N 1 3 420.601 3.598 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000465523984 989878462 /nfs/dbraw/zinc/87/84/62/989878462.db2.gz COEVGSIENFWGIU-HSZRJFAPSA-N 1 3 420.601 3.598 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814224 990197475 /nfs/dbraw/zinc/19/74/75/990197475.db2.gz MCZJROCUIXGTTD-ZJSXRUAMSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000465814224 990197479 /nfs/dbraw/zinc/19/74/79/990197479.db2.gz MCZJROCUIXGTTD-ZJSXRUAMSA-N 1 3 408.590 3.904 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000465820821 990204002 /nfs/dbraw/zinc/20/40/02/990204002.db2.gz XESRFVDXNRCQNA-OAQYLSRUSA-N 1 3 408.590 3.944 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000465820821 990204012 /nfs/dbraw/zinc/20/40/12/990204012.db2.gz XESRFVDXNRCQNA-OAQYLSRUSA-N 1 3 408.590 3.944 20 0 HHADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccccc1 ZINC000466224016 991443857 /nfs/dbraw/zinc/44/38/57/991443857.db2.gz YRHPQBYZZKGBLS-OFVILXPXSA-N 1 3 420.601 3.656 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000466728360 992038648 /nfs/dbraw/zinc/03/86/48/992038648.db2.gz IINMJJVFZAUDBX-CALCHBBNSA-N 1 3 416.484 3.785 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467096141 992401604 /nfs/dbraw/zinc/40/16/04/992401604.db2.gz XJVHMWYDBDQZAF-OAQYLSRUSA-N 1 3 408.590 3.597 20 0 HHADHO C[C@H](NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000467418184 992720079 /nfs/dbraw/zinc/72/00/79/992720079.db2.gz MYIBWHGHGBEOHK-SFHVURJKSA-N 1 3 417.981 3.968 20 0 HHADHO C[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000480728547 993596139 /nfs/dbraw/zinc/59/61/39/993596139.db2.gz QHMHQCHGUOLFBD-AQNXPRMDSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209758 994042556 /nfs/dbraw/zinc/04/25/56/994042556.db2.gz PGLWTNSVYRICDX-YNJKOYDBSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000481209758 994042562 /nfs/dbraw/zinc/04/25/62/994042562.db2.gz PGLWTNSVYRICDX-YNJKOYDBSA-N 1 3 411.565 3.699 20 0 HHADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473554126 994416595 /nfs/dbraw/zinc/41/65/95/994416595.db2.gz RFWMESWWCRTCFO-HXUWFJFHSA-N 1 3 401.570 3.951 20 0 HHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559977 994424505 /nfs/dbraw/zinc/42/45/05/994424505.db2.gz BTNXRWRLPYGODU-KMDXXIMOSA-N 1 3 421.560 3.628 20 0 HHADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559977 994424516 /nfs/dbraw/zinc/42/45/16/994424516.db2.gz BTNXRWRLPYGODU-KMDXXIMOSA-N 1 3 421.560 3.628 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3ccc(C[NH+](CC)CC)cc3)c2)CC1 ZINC000473822308 994751408 /nfs/dbraw/zinc/75/14/08/994751408.db2.gz NLGSFFGXAVQZRR-UHFFFAOYSA-N 1 3 423.605 3.992 20 0 HHADHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256409 995234389 /nfs/dbraw/zinc/23/43/89/995234389.db2.gz GYWZZSUESMUYAY-GOSISDBHSA-N 1 3 412.530 3.756 20 0 HHADHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000482256409 995234403 /nfs/dbraw/zinc/23/44/03/995234403.db2.gz GYWZZSUESMUYAY-GOSISDBHSA-N 1 3 412.530 3.756 20 0 HHADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000474518973 995482569 /nfs/dbraw/zinc/48/25/69/995482569.db2.gz WTYULBZKTWMCCJ-FGZHOGPDSA-N 1 3 422.617 3.916 20 0 HHADHO Cn1cc(-c2ncc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)cn2)cn1 ZINC000474716862 995655081 /nfs/dbraw/zinc/65/50/81/995655081.db2.gz VREWXJFJUPMVBD-UHFFFAOYSA-N 1 3 410.953 3.532 20 0 HHADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798343 995714313 /nfs/dbraw/zinc/71/43/13/995714313.db2.gz KMFMJCVOBXOGMS-IRXDYDNUSA-N 1 3 421.301 3.935 20 0 HHADHO C[NH+](C)CC1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000474816090 995723012 /nfs/dbraw/zinc/72/30/12/995723012.db2.gz XIUPFFFXMFGRHO-UHFFFAOYSA-N 1 3 408.274 3.779 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000475145259 995952356 /nfs/dbraw/zinc/95/23/56/995952356.db2.gz KMPYXRYGGZWBIX-MQSCRBSSSA-N 1 3 400.611 3.660 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475175795 995973226 /nfs/dbraw/zinc/97/32/26/995973226.db2.gz RTNSJARQKBBXEC-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475175795 995973228 /nfs/dbraw/zinc/97/32/28/995973228.db2.gz RTNSJARQKBBXEC-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483484262 996210772 /nfs/dbraw/zinc/21/07/72/996210772.db2.gz IZQHNRFOFAAMBS-NMVJMZGASA-N 1 3 412.549 3.690 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483484262 996210778 /nfs/dbraw/zinc/21/07/78/996210778.db2.gz IZQHNRFOFAAMBS-NMVJMZGASA-N 1 3 412.549 3.690 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487568 996213547 /nfs/dbraw/zinc/21/35/47/996213547.db2.gz RBEHGXAJANQRHR-MZKUHISZSA-N 1 3 424.585 3.559 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487568 996213550 /nfs/dbraw/zinc/21/35/50/996213550.db2.gz RBEHGXAJANQRHR-MZKUHISZSA-N 1 3 424.585 3.559 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(OC4CCCC4)c(F)c3)CC2)CC1 ZINC000483929255 996473756 /nfs/dbraw/zinc/47/37/56/996473756.db2.gz PGHIKGMQUSHJPX-UHFFFAOYSA-N 1 3 418.557 3.827 20 0 HHADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475962108 996501752 /nfs/dbraw/zinc/50/17/52/996501752.db2.gz ZRWKMLGJUVQVDR-FQEVSTJZSA-N 1 3 404.624 3.981 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488274 996809645 /nfs/dbraw/zinc/80/96/45/996809645.db2.gz UVZDEAJGKWNMBO-LNLFQRSKSA-N 1 3 413.400 3.943 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2Br)[C@@H](C)C1 ZINC000484488274 996809656 /nfs/dbraw/zinc/80/96/56/996809656.db2.gz UVZDEAJGKWNMBO-LNLFQRSKSA-N 1 3 413.400 3.943 20 0 HHADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000476710739 997252695 /nfs/dbraw/zinc/25/26/95/997252695.db2.gz VVYMZARWMLOGEL-AZUAARDMSA-N 1 3 400.592 3.705 20 0 HHADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476710739 997252708 /nfs/dbraw/zinc/25/27/08/997252708.db2.gz VVYMZARWMLOGEL-AZUAARDMSA-N 1 3 400.592 3.705 20 0 HHADHO CN(C)C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000476906707 997512991 /nfs/dbraw/zinc/51/29/91/997512991.db2.gz XQLHBWCZIKWJLD-QHCPKHFHSA-N 1 3 412.553 3.914 20 0 HHADHO CC[C@H](CN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000476954619 997571007 /nfs/dbraw/zinc/57/10/07/997571007.db2.gz RUCNEJSOMFEHBH-HXUWFJFHSA-N 1 3 400.611 3.770 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2cccs2)CC1 ZINC000485465659 997911062 /nfs/dbraw/zinc/91/10/62/997911062.db2.gz OGNVOYMDTLXLJE-SLFFLAALSA-N 1 3 404.624 3.647 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cccs2)CC1 ZINC000485465659 997911069 /nfs/dbraw/zinc/91/10/69/997911069.db2.gz OGNVOYMDTLXLJE-SLFFLAALSA-N 1 3 404.624 3.647 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4cc(-c5ccccc5)ccc43)CC2)CC1 ZINC000485495984 997950335 /nfs/dbraw/zinc/95/03/35/997950335.db2.gz QMIDFDXDBZAAEU-UHFFFAOYSA-N 1 3 418.585 3.984 20 0 HHADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060779 999051205 /nfs/dbraw/zinc/05/12/05/999051205.db2.gz BPSLTCYYWJMEIJ-HFMPRLQTSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060779 999051208 /nfs/dbraw/zinc/05/12/08/999051208.db2.gz BPSLTCYYWJMEIJ-HFMPRLQTSA-N 1 3 408.590 3.717 20 0 HHADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000487274659 999120999 /nfs/dbraw/zinc/12/09/99/999120999.db2.gz VBXPAAANNSKERL-VQTJNVASSA-N 1 3 422.495 3.953 20 0 HHADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccco1 ZINC000478802578 999147758 /nfs/dbraw/zinc/14/77/58/999147758.db2.gz SXCTYFWKYOPJFC-KNQAVFIVSA-N 1 3 412.578 3.981 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000478869694 999184962 /nfs/dbraw/zinc/18/49/62/999184962.db2.gz HLRCLOXWIIHGKV-DEOSSOPVSA-N 1 3 424.589 3.570 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014267 999348950 /nfs/dbraw/zinc/34/89/50/999348950.db2.gz MWMCDXODQBOYCT-QVGHQYEOSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014267 999348952 /nfs/dbraw/zinc/34/89/52/999348952.db2.gz MWMCDXODQBOYCT-QVGHQYEOSA-N 1 3 406.574 3.642 20 0 HHADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367600 999406760 /nfs/dbraw/zinc/40/67/60/999406760.db2.gz ZXJNQLMGLOHKMC-CZUORRHYSA-N 1 3 409.290 3.965 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478536 999434893 /nfs/dbraw/zinc/43/48/93/999434893.db2.gz NKIZRSBLBKBERQ-SGZDXZSOSA-N 1 3 405.549 3.518 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH+]3CCCCCC3)c(C)c2)CC1 ZINC000479810220 999605823 /nfs/dbraw/zinc/60/58/23/999605823.db2.gz TZGGIQXNGMFHBS-FQEVSTJZSA-N 1 3 401.599 3.523 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)[NH+]2CCCC2)cc1 ZINC000489279286 999735923 /nfs/dbraw/zinc/73/59/23/999735923.db2.gz UOUPZAXUXZJPER-QHCPKHFHSA-N 1 3 412.578 3.888 20 0 HHADHO C[C@H]1CCC[C@@](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000489293349 999738986 /nfs/dbraw/zinc/73/89/86/999738986.db2.gz FZIFZVGYADWJPI-GBXCKJPGSA-N 1 3 400.611 3.803 20 0 HHADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329049 999772609 /nfs/dbraw/zinc/77/26/09/999772609.db2.gz GATGLZLNQACHOM-WMLDXEAASA-N 1 3 417.413 3.768 20 0 HHADHO Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000480466827 999805905 /nfs/dbraw/zinc/80/59/05/999805905.db2.gz ZEPOQRKEEJWJQM-PXDATVDWSA-N 1 3 411.590 3.660 20 0 HHADHO COc1ccc([C@@H](NCc2ccnc(N3CC[NH+](C)CC3)c2)c2ccc(F)cc2)cc1 ZINC000490131060 999897765 /nfs/dbraw/zinc/89/77/65/999897765.db2.gz SDKPFWJTHXPSCH-VWLOTQADSA-N 1 3 420.532 3.860 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256224 999923129 /nfs/dbraw/zinc/92/31/29/999923129.db2.gz XFVWMXDMCTUUSM-NZQKXSOJSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994225 1000031796 /nfs/dbraw/zinc/03/17/96/1000031796.db2.gz KHIYDNPWJGEBFW-PXDATVDWSA-N 1 3 409.574 3.816 20 0 HHADHO C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994225 1000031797 /nfs/dbraw/zinc/03/17/97/1000031797.db2.gz KHIYDNPWJGEBFW-PXDATVDWSA-N 1 3 409.574 3.816 20 0 HHADHO C[C@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994226 1000031820 /nfs/dbraw/zinc/03/18/20/1000031820.db2.gz KHIYDNPWJGEBFW-SQJMNOBHSA-N 1 3 409.574 3.816 20 0 HHADHO C[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994226 1000031822 /nfs/dbraw/zinc/03/18/22/1000031822.db2.gz KHIYDNPWJGEBFW-SQJMNOBHSA-N 1 3 409.574 3.816 20 0 HHADHO Cc1ccc([C@@H](NCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000491063653 1000041449 /nfs/dbraw/zinc/04/14/49/1000041449.db2.gz ZVSMSOHZSCNGBN-QHCPKHFHSA-N 1 3 400.588 3.728 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000491082486 1000043609 /nfs/dbraw/zinc/04/36/09/1000043609.db2.gz WOTBZWQZZMTLDF-CVDCTZTESA-N 1 3 416.610 3.592 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)N(C)C)cc1 ZINC000491082486 1000043611 /nfs/dbraw/zinc/04/36/11/1000043611.db2.gz WOTBZWQZZMTLDF-CVDCTZTESA-N 1 3 416.610 3.592 20 0 HHADHO COc1ccc([C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c2ccccc2)cc1 ZINC000491309035 1000063431 /nfs/dbraw/zinc/06/34/31/1000063431.db2.gz VMGWSOIPESGBAV-RUZDIDTESA-N 1 3 402.542 3.721 20 0 HHADHO C[NH+](C)C1CCN(CCN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493084151 1000156898 /nfs/dbraw/zinc/15/68/98/1000156898.db2.gz YYEPKIGVNZGMIX-QFIPXVFZSA-N 1 3 403.517 3.993 20 0 HHADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000493861259 1000198517 /nfs/dbraw/zinc/19/85/17/1000198517.db2.gz HJVNHBCGQJBQFQ-LQWHRVPQSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000493861259 1000198521 /nfs/dbraw/zinc/19/85/21/1000198521.db2.gz HJVNHBCGQJBQFQ-LQWHRVPQSA-N 1 3 411.512 3.678 20 0 HHADHO CCC[NH+]1CCC(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000504653618 1000310310 /nfs/dbraw/zinc/31/03/10/1000310310.db2.gz DXJWLIFYGNXIDU-OAQYLSRUSA-N 1 3 411.512 3.679 20 0 HHADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504922433 1000449753 /nfs/dbraw/zinc/44/97/53/1000449753.db2.gz AZNNSHLZDVODQH-XMMPIXPASA-N 1 3 406.574 3.746 20 0 HHADHO Cn1cc([C@H](NCCc2ccc(OCC[NH+]3CCCC3)cc2)c2cccc(F)c2)cn1 ZINC000494745378 1000631628 /nfs/dbraw/zinc/63/16/28/1000631628.db2.gz ISQQKWCVPIYUSR-RUZDIDTESA-N 1 3 422.548 3.956 20 0 HHADHO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000506030083 1001174965 /nfs/dbraw/zinc/17/49/65/1001174965.db2.gz FVJRBASEMKTKBV-GOSISDBHSA-N 1 3 405.608 3.560 20 0 HHADHO CS[C@H]1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1N(C)C ZINC000497656994 1001474714 /nfs/dbraw/zinc/47/47/14/1001474714.db2.gz KLSXOLUGDMSCJK-SFTDATJTSA-N 1 3 404.624 3.960 20 0 HHADHO CS[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1N(C)C ZINC000497656994 1001474717 /nfs/dbraw/zinc/47/47/17/1001474717.db2.gz KLSXOLUGDMSCJK-SFTDATJTSA-N 1 3 404.624 3.960 20 0 HHADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662077 1001476404 /nfs/dbraw/zinc/47/64/04/1001476404.db2.gz YQUCHKBDAGNRRY-ZRBLBEILSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000497662077 1001476408 /nfs/dbraw/zinc/47/64/08/1001476408.db2.gz YQUCHKBDAGNRRY-ZRBLBEILSA-N 1 3 412.622 3.585 20 0 HHADHO CN(C)CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497708165 1001492415 /nfs/dbraw/zinc/49/24/15/1001492415.db2.gz GPSBNYGRQCBIJD-UHFFFAOYSA-N 1 3 423.605 3.731 20 0 HHADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)CC1 ZINC000506686264 1001494029 /nfs/dbraw/zinc/49/40/29/1001494029.db2.gz DIRJLCDZYAVFOW-UHFFFAOYSA-N 1 3 421.585 3.535 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687957 1001494319 /nfs/dbraw/zinc/49/43/19/1001494319.db2.gz DWRIQHQMALBQGR-JOCHJYFZSA-N 1 3 422.621 3.526 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000506687957 1001494321 /nfs/dbraw/zinc/49/43/21/1001494321.db2.gz DWRIQHQMALBQGR-JOCHJYFZSA-N 1 3 422.621 3.526 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793698 1001533370 /nfs/dbraw/zinc/53/33/70/1001533370.db2.gz BPQAATIPEMKSSA-XJUOHMSHSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793698 1001533375 /nfs/dbraw/zinc/53/33/75/1001533375.db2.gz BPQAATIPEMKSSA-XJUOHMSHSA-N 1 3 400.611 3.803 20 0 HHADHO Cc1ccc(C)n1C1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507353461 1002017810 /nfs/dbraw/zinc/01/78/10/1002017810.db2.gz ASSHQJFJSPRCIV-JOCHJYFZSA-N 1 3 422.617 3.911 20 0 HHADHO Cc1ccc(C)n1C1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000507353469 1002018243 /nfs/dbraw/zinc/01/82/43/1002018243.db2.gz ASSHQJFJSPRCIV-QFIPXVFZSA-N 1 3 422.617 3.911 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000507503002 1002115895 /nfs/dbraw/zinc/11/58/95/1002115895.db2.gz UTFZVXYTNBQPKD-QFIPXVFZSA-N 1 3 415.528 3.912 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000507503002 1002115903 /nfs/dbraw/zinc/11/59/03/1002115903.db2.gz UTFZVXYTNBQPKD-QFIPXVFZSA-N 1 3 415.528 3.912 20 0 HHADHO c1csc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141839 1002526455 /nfs/dbraw/zinc/52/64/55/1002526455.db2.gz NLWZFCUGVHOHCD-BJESRGMDSA-N 1 3 411.615 3.907 20 0 HHADHO CCc1cc(N2CCC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148870 1002531995 /nfs/dbraw/zinc/53/19/95/1002531995.db2.gz UIGFGNGJEOYEPU-NEWJYFPISA-N 1 3 405.590 3.793 20 0 HHADHO CCc1cc(N2CCC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148870 1002532004 /nfs/dbraw/zinc/53/20/04/1002532004.db2.gz UIGFGNGJEOYEPU-NEWJYFPISA-N 1 3 405.590 3.793 20 0 HHADHO Fc1ccc(N2CCN(CCN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148777 1002532615 /nfs/dbraw/zinc/53/26/15/1002532615.db2.gz DQLPMQSPMMYTNI-YGTOKIDASA-N 1 3 422.592 3.733 20 0 HHADHO Fc1ccc(N2CCN(CCN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000499148777 1002532636 /nfs/dbraw/zinc/53/26/36/1002532636.db2.gz DQLPMQSPMMYTNI-YGTOKIDASA-N 1 3 422.592 3.733 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)C3)cc1 ZINC000499162181 1002548309 /nfs/dbraw/zinc/54/83/09/1002548309.db2.gz AHROVFHJUIEVHO-QYOOZWMWSA-N 1 3 405.586 3.845 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508091259 1002614158 /nfs/dbraw/zinc/61/41/58/1002614158.db2.gz WHHRRKOTRUNNNH-SFHVURJKSA-N 1 3 413.587 3.796 20 0 HHADHO Cc1cccc(CN(CC(C)C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000508561179 1003030782 /nfs/dbraw/zinc/03/07/82/1003030782.db2.gz PGAPMRZBIVLRQL-UHFFFAOYSA-N 1 3 400.611 3.721 20 0 HHADHO Cc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)c1 ZINC000508719495 1003159957 /nfs/dbraw/zinc/15/99/57/1003159957.db2.gz KWJUHZZNYZHZTO-DFCKQENNSA-N 1 3 407.602 3.869 20 0 HHADHO C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508722659 1003162939 /nfs/dbraw/zinc/16/29/39/1003162939.db2.gz YFYOKSXVKLUOTL-NFBKMPQASA-N 1 3 417.557 3.522 20 0 HHADHO C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508722661 1003164058 /nfs/dbraw/zinc/16/40/58/1003164058.db2.gz YFYOKSXVKLUOTL-OFNKIYASSA-N 1 3 417.557 3.522 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000508849351 1003270226 /nfs/dbraw/zinc/27/02/26/1003270226.db2.gz BMWXPMJUUJYWOU-BGWNEDDSSA-N 1 3 408.590 3.841 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000508849351 1003270222 /nfs/dbraw/zinc/27/02/22/1003270222.db2.gz BMWXPMJUUJYWOU-BGWNEDDSSA-N 1 3 408.590 3.841 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719439 1003919190 /nfs/dbraw/zinc/91/91/90/1003919190.db2.gz ZOCIKFPLSAABAN-NFBKMPQASA-N 1 3 421.589 3.775 20 0 HHADHO CC[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000500802258 1003966620 /nfs/dbraw/zinc/96/66/20/1003966620.db2.gz DIWYNUYYFAHVAN-HSZRJFAPSA-N 1 3 400.611 3.587 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000512036667 1003971707 /nfs/dbraw/zinc/97/17/07/1003971707.db2.gz ATCHADWDCDDXFL-CALCHBBNSA-N 1 3 410.484 3.870 20 0 HHADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171292 1004074799 /nfs/dbraw/zinc/07/47/99/1004074799.db2.gz GPSUOHDFRWCXSN-GOTSBHOMSA-N 1 3 408.590 3.889 20 0 HHADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171292 1004074807 /nfs/dbraw/zinc/07/48/07/1004074807.db2.gz GPSUOHDFRWCXSN-GOTSBHOMSA-N 1 3 408.590 3.889 20 0 HHADHO Cc1ccc([C@@H](NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)cc1 ZINC000501025538 1004129639 /nfs/dbraw/zinc/12/96/39/1004129639.db2.gz ZAPICRFEIBGYIP-RUZDIDTESA-N 1 3 406.574 3.806 20 0 HHADHO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090534 1004196853 /nfs/dbraw/zinc/19/68/53/1004196853.db2.gz SNASVSAHGASCBH-INIZCTEOSA-N 1 3 418.488 3.858 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000509993929 1004252927 /nfs/dbraw/zinc/25/29/27/1004252927.db2.gz JPVZSSHGSPTMAZ-QHCPKHFHSA-N 1 3 421.589 3.615 20 0 HHADHO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000512414686 1004282421 /nfs/dbraw/zinc/28/24/21/1004282421.db2.gz HYZRGYXYXUTEDM-UHFFFAOYSA-N 1 3 402.542 3.799 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143277 1004353510 /nfs/dbraw/zinc/35/35/10/1004353510.db2.gz LQWRWVADUFCGEG-VQTJNVASSA-N 1 3 411.384 3.671 20 0 HHADHO CN(Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000510143277 1004353519 /nfs/dbraw/zinc/35/35/19/1004353519.db2.gz LQWRWVADUFCGEG-VQTJNVASSA-N 1 3 411.384 3.671 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388902 1004385098 /nfs/dbraw/zinc/38/50/98/1004385098.db2.gz VLDFUBDMDRFMSI-YUVXSKOASA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388902 1004385106 /nfs/dbraw/zinc/38/51/06/1004385106.db2.gz VLDFUBDMDRFMSI-YUVXSKOASA-N 1 3 412.578 3.919 20 0 HHADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622786 1004436434 /nfs/dbraw/zinc/43/64/34/1004436434.db2.gz CCGPEGZDGYFEKD-VJGNERBWSA-N 1 3 419.613 3.909 20 0 HHADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCc4ccccc4CN4CCOCC4)[C@@H]3C2)cc1 ZINC000512622786 1004436441 /nfs/dbraw/zinc/43/64/41/1004436441.db2.gz CCGPEGZDGYFEKD-VJGNERBWSA-N 1 3 419.613 3.909 20 0 HHADHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000512637341 1004449483 /nfs/dbraw/zinc/44/94/83/1004449483.db2.gz UXDKCNLUORFZAY-CCDWMCETSA-N 1 3 405.586 3.821 20 0 HHADHO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534268 1004497575 /nfs/dbraw/zinc/49/75/75/1004497575.db2.gz CTXOECNLZOABMX-UXHICEINSA-N 1 3 406.574 3.986 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693161 1004499170 /nfs/dbraw/zinc/49/91/70/1004499170.db2.gz HKRGDGYUIVFUFX-MSOLQXFVSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693161 1004499175 /nfs/dbraw/zinc/49/91/75/1004499175.db2.gz HKRGDGYUIVFUFX-MSOLQXFVSA-N 1 3 422.564 3.691 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)N(C)C)cc1 ZINC000512830678 1004588464 /nfs/dbraw/zinc/58/84/64/1004588464.db2.gz BLVICZUUOOOQPQ-GIWBLDEGSA-N 1 3 416.610 3.733 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)N(C)C)cc1 ZINC000512830678 1004588478 /nfs/dbraw/zinc/58/84/78/1004588478.db2.gz BLVICZUUOOOQPQ-GIWBLDEGSA-N 1 3 416.610 3.733 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)N(C)C)cc1 ZINC000512916596 1004688113 /nfs/dbraw/zinc/68/81/13/1004688113.db2.gz DTRCEPXYPQVOJL-HSZRJFAPSA-N 1 3 416.610 3.736 20 0 HHADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501784847 1004726722 /nfs/dbraw/zinc/72/67/22/1004726722.db2.gz JJIBRUJHQCRJSQ-HSZRJFAPSA-N 1 3 401.595 3.803 20 0 HHADHO COc1ccccc1CC(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000513068811 1004789698 /nfs/dbraw/zinc/78/96/98/1004789698.db2.gz LLJLUMPIMKJZIE-UHFFFAOYSA-N 1 3 413.606 3.615 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCCC23CC[NH+](C)CC3)N(C)C)cc1 ZINC000513382781 1004935802 /nfs/dbraw/zinc/93/58/02/1004935802.db2.gz GPAQNFKYISYTMV-JOCHJYFZSA-N 1 3 400.611 3.758 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448297 1004971131 /nfs/dbraw/zinc/97/11/31/1004971131.db2.gz QZXBVJMIAPRFBL-WIYYLYMNSA-N 1 3 411.512 3.822 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448297 1004971137 /nfs/dbraw/zinc/97/11/37/1004971137.db2.gz QZXBVJMIAPRFBL-WIYYLYMNSA-N 1 3 411.512 3.822 20 0 HHADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)c2)cc1 ZINC000513696643 1005086137 /nfs/dbraw/zinc/08/61/37/1005086137.db2.gz BUUYGMRBAALVHG-RBZQAINGSA-N 1 3 423.557 3.789 20 0 HHADHO COc1ccc(C(=O)Nc2cccc(OCC[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)c2)cc1 ZINC000513696644 1005086157 /nfs/dbraw/zinc/08/61/57/1005086157.db2.gz BUUYGMRBAALVHG-SMIHKQSGSA-N 1 3 423.557 3.789 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268879 1005099847 /nfs/dbraw/zinc/09/98/47/1005099847.db2.gz NCULMYUMXLEBPA-QUCCMNQESA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268879 1005099850 /nfs/dbraw/zinc/09/98/50/1005099850.db2.gz NCULMYUMXLEBPA-QUCCMNQESA-N 1 3 404.574 3.552 20 0 HHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000514154829 1005292158 /nfs/dbraw/zinc/29/21/58/1005292158.db2.gz YTCFQHWIZDKDMR-RUZDIDTESA-N 1 3 420.601 3.611 20 0 HHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000514154829 1005292163 /nfs/dbraw/zinc/29/21/63/1005292163.db2.gz YTCFQHWIZDKDMR-RUZDIDTESA-N 1 3 420.601 3.611 20 0 HHADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000503381790 1005403718 /nfs/dbraw/zinc/40/37/18/1005403718.db2.gz BHQDSTZPIBNKOV-UHFFFAOYSA-N 1 3 418.548 3.699 20 0 HHADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc2ccccc2s1 ZINC000504238281 1005579888 /nfs/dbraw/zinc/57/98/88/1005579888.db2.gz ZMHCAUBOJOWZIV-INIZCTEOSA-N 1 3 400.592 3.820 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000514438704 1005990170 /nfs/dbraw/zinc/99/01/70/1005990170.db2.gz TZRGIIKOBXVTRK-XMMPIXPASA-N 1 3 408.590 3.769 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccsc1 ZINC000531204794 1006045565 /nfs/dbraw/zinc/04/55/65/1006045565.db2.gz CUZNZHKKWBJKOB-NRFANRHFSA-N 1 3 400.592 3.867 20 0 HHADHO CN1CCN(C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838589 1006167324 /nfs/dbraw/zinc/16/73/24/1006167324.db2.gz TWAGAKALPBWRTG-JVYGEBFASA-N 1 3 418.629 3.760 20 0 HHADHO CN1CCN(C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc2)CC1 ZINC000514838589 1006167330 /nfs/dbraw/zinc/16/73/30/1006167330.db2.gz TWAGAKALPBWRTG-JVYGEBFASA-N 1 3 418.629 3.760 20 0 HHADHO COc1ccc([C@H](CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)N2CCCC2)cc1 ZINC000531445327 1006201069 /nfs/dbraw/zinc/20/10/69/1006201069.db2.gz LVUWFWSGDOGDHW-DEOSSOPVSA-N 1 3 422.573 3.568 20 0 HHADHO C[NH+](C)CCOc1cc(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)ccn1 ZINC000534239861 1006245326 /nfs/dbraw/zinc/24/53/26/1006245326.db2.gz DLEKAYHMGGAYCL-UHFFFAOYSA-N 1 3 408.329 3.894 20 0 HHADHO COc1c(Br)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1Br ZINC000534342433 1006308624 /nfs/dbraw/zinc/30/86/24/1006308624.db2.gz FKOFFFQONBFXEU-LBPRGKRZSA-N 1 3 420.189 3.994 20 0 HHADHO COc1c(Br)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1Br ZINC000534342433 1006308635 /nfs/dbraw/zinc/30/86/35/1006308635.db2.gz FKOFFFQONBFXEU-LBPRGKRZSA-N 1 3 420.189 3.994 20 0 HHADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000531709584 1006369449 /nfs/dbraw/zinc/36/94/49/1006369449.db2.gz XZWPORWOWOKOQF-CPJSRVTESA-N 1 3 403.574 3.820 20 0 HHADHO CC(C)(C)N1CCCN(c2nc(N3CCC[N@@H+](C(C)(C)C)CC3)ncc2Cl)CC1 ZINC000531758547 1006402473 /nfs/dbraw/zinc/40/24/73/1006402473.db2.gz KVHDHHSNAVFGKW-UHFFFAOYSA-N 1 3 423.049 3.751 20 0 HHADHO CC(C)(C)N1CCCN(c2nc(N3CCC[N@H+](C(C)(C)C)CC3)ncc2Cl)CC1 ZINC000531758547 1006402476 /nfs/dbraw/zinc/40/24/76/1006402476.db2.gz KVHDHHSNAVFGKW-UHFFFAOYSA-N 1 3 423.049 3.751 20 0 HHADHO COc1ccc([C@@H](N[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000538388796 1006658233 /nfs/dbraw/zinc/65/82/33/1006658233.db2.gz CHZPQQKFNQBLDH-CLOONOSVSA-N 1 3 421.585 3.905 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000515803221 1006684072 /nfs/dbraw/zinc/68/40/72/1006684072.db2.gz UADJWYBSBQLCJN-UHFFFAOYSA-N 1 3 400.611 3.723 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000515844657 1006713430 /nfs/dbraw/zinc/71/34/30/1006713430.db2.gz KDNYVBKHKQQAED-WOJBJXKFSA-N 1 3 406.590 3.657 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000515844978 1006714525 /nfs/dbraw/zinc/71/45/25/1006714525.db2.gz PWZWSOCXMGUDHE-UHFFFAOYSA-N 1 3 410.672 3.502 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000515844978 1006714539 /nfs/dbraw/zinc/71/45/39/1006714539.db2.gz PWZWSOCXMGUDHE-UHFFFAOYSA-N 1 3 410.672 3.502 20 0 HHADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000532221214 1006730830 /nfs/dbraw/zinc/73/08/30/1006730830.db2.gz ZYCRKUDAPAUOKE-HNNXBMFYSA-N 1 3 404.352 3.591 20 0 HHADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000532269716 1006759515 /nfs/dbraw/zinc/75/95/15/1006759515.db2.gz SQQYAWFWZJGONC-PMACEKPBSA-N 1 3 422.495 3.749 20 0 HHADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000532373840 1006830107 /nfs/dbraw/zinc/83/01/07/1006830107.db2.gz NAYKQPPBZRTFQS-UHFFFAOYSA-N 1 3 415.965 3.917 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723154 1006998303 /nfs/dbraw/zinc/99/83/03/1006998303.db2.gz MYMNCWUFCGEWDG-NFBKMPQASA-N 1 3 409.622 3.628 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000538723154 1006998314 /nfs/dbraw/zinc/99/83/14/1006998314.db2.gz MYMNCWUFCGEWDG-NFBKMPQASA-N 1 3 409.622 3.628 20 0 HHADHO Cc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723186 1006998605 /nfs/dbraw/zinc/99/86/05/1006998605.db2.gz NVLYTHQMYPDAJY-URXFXBBRSA-N 1 3 423.649 3.936 20 0 HHADHO Cc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c(C(C)(C)C)n2)cc1 ZINC000538723186 1006998615 /nfs/dbraw/zinc/99/86/15/1006998615.db2.gz NVLYTHQMYPDAJY-URXFXBBRSA-N 1 3 423.649 3.936 20 0 HHADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000538724940 1007003769 /nfs/dbraw/zinc/00/37/69/1007003769.db2.gz KGFIMBUEYZSVHF-LJQANCHMSA-N 1 3 418.626 3.928 20 0 HHADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000538724940 1007003783 /nfs/dbraw/zinc/00/37/83/1007003783.db2.gz KGFIMBUEYZSVHF-LJQANCHMSA-N 1 3 418.626 3.928 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000516582066 1007167148 /nfs/dbraw/zinc/16/71/48/1007167148.db2.gz PTRYXUHOJWHKKO-XXBNENTESA-N 1 3 412.553 3.734 20 0 HHADHO Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000539042244 1007339850 /nfs/dbraw/zinc/33/98/50/1007339850.db2.gz WWVRGNZAWOHYLZ-FDDCHVKYSA-N 1 3 415.603 3.563 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539060412 1007353948 /nfs/dbraw/zinc/35/39/48/1007353948.db2.gz SFGQSVOVFMBBGV-OFAXGOBFSA-N 1 3 416.610 3.979 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000539061907 1007354636 /nfs/dbraw/zinc/35/46/36/1007354636.db2.gz PNULEWGOENUYLY-VSUDMRMVSA-N 1 3 417.500 3.528 20 0 HHADHO CN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000535338822 1007390183 /nfs/dbraw/zinc/39/01/83/1007390183.db2.gz DKRNSFOGQFAEBU-RPWUZVMVSA-N 1 3 406.574 3.917 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000535341886 1007395693 /nfs/dbraw/zinc/39/56/93/1007395693.db2.gz XMJFVLMSQSXGQZ-BJKOFHAPSA-N 1 3 424.589 3.652 20 0 HHADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000517226231 1007512280 /nfs/dbraw/zinc/51/22/80/1007512280.db2.gz HCDMAMQYBHOLKK-UODIDJSMSA-N 1 3 406.618 3.790 20 0 HHADHO CCCN1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000533310321 1007626500 /nfs/dbraw/zinc/62/65/00/1007626500.db2.gz LJFLKKDMDPHKRJ-OAHLLOKOSA-N 1 3 401.624 3.747 20 0 HHADHO CCCN1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000533310321 1007626503 /nfs/dbraw/zinc/62/65/03/1007626503.db2.gz LJFLKKDMDPHKRJ-OAHLLOKOSA-N 1 3 401.624 3.747 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000517542303 1007758309 /nfs/dbraw/zinc/75/83/09/1007758309.db2.gz OVSCAYMHELSDIT-PXDATVDWSA-N 1 3 420.601 3.828 20 0 HHADHO CC(C)OCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000539512677 1007823172 /nfs/dbraw/zinc/82/31/72/1007823172.db2.gz VYRAOXQTJUJNAG-UHFFFAOYSA-N 1 3 419.573 3.913 20 0 HHADHO COC(=O)c1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519173 1007829220 /nfs/dbraw/zinc/82/92/20/1007829220.db2.gz NMVFSEVODVZVAE-APWZRJJASA-N 1 3 409.452 3.993 20 0 HHADHO COC(=O)c1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c[nH]1 ZINC000539519173 1007829231 /nfs/dbraw/zinc/82/92/31/1007829231.db2.gz NMVFSEVODVZVAE-APWZRJJASA-N 1 3 409.452 3.993 20 0 HHADHO COc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728034 1007934134 /nfs/dbraw/zinc/93/41/34/1007934134.db2.gz FSCONJUKENJUFU-ZCYQVOJMSA-N 1 3 421.585 3.861 20 0 HHADHO COc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000517728034 1007934141 /nfs/dbraw/zinc/93/41/41/1007934141.db2.gz FSCONJUKENJUFU-ZCYQVOJMSA-N 1 3 421.585 3.861 20 0 HHADHO c1ccc(C[NH+]2CCC(Nc3ccc4nc(CCN5CCOCC5)[nH]c4c3)CC2)cc1 ZINC000539710701 1008027767 /nfs/dbraw/zinc/02/77/67/1008027767.db2.gz YEQKQRBLTVDFEK-UHFFFAOYSA-N 1 3 419.573 3.514 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015548 1008055819 /nfs/dbraw/zinc/05/58/19/1008055819.db2.gz WKKQHUXVTNVWEY-VWLOTQADSA-N 1 3 422.617 3.713 20 0 HHADHO CN(C)[C@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)Cc1ccccc1 ZINC000536015548 1008055827 /nfs/dbraw/zinc/05/58/27/1008055827.db2.gz WKKQHUXVTNVWEY-VWLOTQADSA-N 1 3 422.617 3.713 20 0 HHADHO CSc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000539835424 1008128616 /nfs/dbraw/zinc/12/86/16/1008128616.db2.gz ILTGPBFRCUNXTR-UHFFFAOYSA-N 1 3 411.615 3.869 20 0 HHADHO CC(C)c1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(O)c(C(C)C)c1 ZINC000539840063 1008131468 /nfs/dbraw/zinc/13/14/68/1008131468.db2.gz FKXCYASECABFMC-UHFFFAOYSA-N 1 3 401.595 3.927 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000539955895 1008204709 /nfs/dbraw/zinc/20/47/09/1008204709.db2.gz OWSAVVXNNPAXKO-DEOSSOPVSA-N 1 3 423.605 3.941 20 0 HHADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045418 1008254805 /nfs/dbraw/zinc/25/48/05/1008254805.db2.gz NNUFIFBMUKVVHQ-IBGZPJMESA-N 1 3 412.553 3.979 20 0 HHADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045475 1008254856 /nfs/dbraw/zinc/25/48/56/1008254856.db2.gz PAOPDFVUXPZNSB-VQTJNVASSA-N 1 3 406.574 3.986 20 0 HHADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(I)cc1 ZINC000540170656 1008320558 /nfs/dbraw/zinc/32/05/58/1008320558.db2.gz ITAXYVCEYPTCBY-XHSDSOJGSA-N 1 3 416.347 3.831 20 0 HHADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520023 1008335553 /nfs/dbraw/zinc/33/55/53/1008335553.db2.gz QDBTWKCVMRRFFE-UYAOXDASSA-N 1 3 404.624 3.837 20 0 HHADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2cccs2)CC1 ZINC000518520023 1008335560 /nfs/dbraw/zinc/33/55/60/1008335560.db2.gz QDBTWKCVMRRFFE-UYAOXDASSA-N 1 3 404.624 3.837 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c2cccs2)CC1 ZINC000518612971 1008365632 /nfs/dbraw/zinc/36/56/32/1008365632.db2.gz OBEPLZXDIOUAAE-PMACEKPBSA-N 1 3 404.624 3.791 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540302823 1008373370 /nfs/dbraw/zinc/37/33/70/1008373370.db2.gz UKTKUSSPOMULFV-GOSISDBHSA-N 1 3 401.576 3.561 20 0 HHADHO CC1CCN([C@H](CNC(=O)c2ccccc2OCC[NH+](C)C)c2ccccc2)CC1 ZINC000518809685 1008427620 /nfs/dbraw/zinc/42/76/20/1008427620.db2.gz FFVMEHCPCQHFER-HSZRJFAPSA-N 1 3 409.574 3.830 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000540504662 1008458693 /nfs/dbraw/zinc/45/86/93/1008458693.db2.gz FOBFKBFFYHPYBM-QZTJIDSGSA-N 1 3 402.608 3.860 20 0 HHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000540504662 1008458697 /nfs/dbraw/zinc/45/86/97/1008458697.db2.gz FOBFKBFFYHPYBM-QZTJIDSGSA-N 1 3 402.608 3.860 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000518973915 1008492381 /nfs/dbraw/zinc/49/23/81/1008492381.db2.gz MEMCTHCOKLTBNX-DEOSSOPVSA-N 1 3 424.589 3.572 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)N(C)C)cc1 ZINC000518973920 1008492389 /nfs/dbraw/zinc/49/23/89/1008492389.db2.gz MEMCTHCOKLTBNX-XMMPIXPASA-N 1 3 424.589 3.572 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000549165386 1008736497 /nfs/dbraw/zinc/73/64/97/1008736497.db2.gz MTNJEHSKKIFJFI-QFIPXVFZSA-N 1 3 411.546 3.533 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000519362096 1008760309 /nfs/dbraw/zinc/76/03/09/1008760309.db2.gz PNPGOACTNVJJEC-QHCPKHFHSA-N 1 3 409.549 3.950 20 0 HHADHO Fc1ccc([C@H](NCCCN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000543402285 1008994395 /nfs/dbraw/zinc/99/43/95/1008994395.db2.gz FVTOFIUSCGOBJY-XMMPIXPASA-N 1 3 405.521 3.507 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460036 1009046036 /nfs/dbraw/zinc/04/60/36/1009046036.db2.gz GHVSZNLYWPTAIO-HDMKZQKVSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460036 1009046069 /nfs/dbraw/zinc/04/60/69/1009046069.db2.gz GHVSZNLYWPTAIO-HDMKZQKVSA-N 1 3 401.378 3.976 20 0 HHADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000519935699 1009090128 /nfs/dbraw/zinc/09/01/28/1009090128.db2.gz GYAVUYQFIOKNMB-QHCPKHFHSA-N 1 3 400.611 3.895 20 0 HHADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000546228937 1009254079 /nfs/dbraw/zinc/25/40/79/1009254079.db2.gz ZJGXOVFXCDOARA-SFHVURJKSA-N 1 3 419.591 3.531 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N2CCCC2)cc1 ZINC000520299837 1009425298 /nfs/dbraw/zinc/42/52/98/1009425298.db2.gz WUAPGXQDCGXHQA-QHCPKHFHSA-N 1 3 400.611 3.894 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N2CCCC2)cc1 ZINC000520299837 1009425304 /nfs/dbraw/zinc/42/53/04/1009425304.db2.gz WUAPGXQDCGXHQA-QHCPKHFHSA-N 1 3 400.611 3.894 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000543993217 1009592103 /nfs/dbraw/zinc/59/21/03/1009592103.db2.gz WGSBURPUYUVNPJ-JQFCIGGWSA-N 1 3 409.596 3.721 20 0 HHADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000543993217 1009592113 /nfs/dbraw/zinc/59/21/13/1009592113.db2.gz WGSBURPUYUVNPJ-JQFCIGGWSA-N 1 3 409.596 3.721 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](CC3CCCC3)CC2)c(OC)c1 ZINC000544002507 1009602936 /nfs/dbraw/zinc/60/29/36/1009602936.db2.gz TWEDBQPKYAWVJQ-KRWDZBQOSA-N 1 3 403.567 3.665 20 0 HHADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000546619495 1009631991 /nfs/dbraw/zinc/63/19/91/1009631991.db2.gz WVGMEXNPRCAGIO-KSZLIROESA-N 1 3 407.986 3.561 20 0 HHADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000546619495 1009632003 /nfs/dbraw/zinc/63/20/03/1009632003.db2.gz WVGMEXNPRCAGIO-KSZLIROESA-N 1 3 407.986 3.561 20 0 HHADHO Cc1cc(Br)cn2cc(CCNC3CC[NH+](C4CCCC4)CC3)nc12 ZINC000546933034 1009892397 /nfs/dbraw/zinc/89/23/97/1009892397.db2.gz YADRLLQVZGMYDT-UHFFFAOYSA-N 1 3 405.384 3.944 20 0 HHADHO Cc1cc(Br)cn2cc(CC[NH2+]C3CCN(C4CCCC4)CC3)nc12 ZINC000546933034 1009892410 /nfs/dbraw/zinc/89/24/10/1009892410.db2.gz YADRLLQVZGMYDT-UHFFFAOYSA-N 1 3 405.384 3.944 20 0 HHADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000521071105 1010088436 /nfs/dbraw/zinc/08/84/36/1010088436.db2.gz MMRZWTGENKLUPK-OAQYLSRUSA-N 1 3 410.553 3.549 20 0 HHADHO CCOC(=O)C1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550881851 1010238918 /nfs/dbraw/zinc/23/89/18/1010238918.db2.gz DVAGPJDJKCQXBU-KOENEWCDSA-N 1 3 414.590 3.627 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547827841 1010441219 /nfs/dbraw/zinc/44/12/19/1010441219.db2.gz IKFIANIAKSHWSE-CUWPLCDZSA-N 1 3 422.491 3.945 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521584497 1010481180 /nfs/dbraw/zinc/48/11/80/1010481180.db2.gz NZIWWLOLSQRAGY-WNOPAQSVSA-N 1 3 409.549 3.989 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521584497 1010481187 /nfs/dbraw/zinc/48/11/87/1010481187.db2.gz NZIWWLOLSQRAGY-WNOPAQSVSA-N 1 3 409.549 3.989 20 0 HHADHO C[NH+](C)CCOc1ccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)cc1 ZINC000544972330 1010529549 /nfs/dbraw/zinc/52/95/49/1010529549.db2.gz ZLZVQAPPWPSPAB-UHFFFAOYSA-N 1 3 424.570 3.893 20 0 HHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155512 1010547945 /nfs/dbraw/zinc/54/79/45/1010547945.db2.gz XHBFWGWEKMYYMM-SXWKCWPCSA-N 1 3 421.585 3.905 20 0 HHADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000548155512 1010547953 /nfs/dbraw/zinc/54/79/53/1010547953.db2.gz XHBFWGWEKMYYMM-SXWKCWPCSA-N 1 3 421.585 3.905 20 0 HHADHO O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000521690361 1010553797 /nfs/dbraw/zinc/55/37/97/1010553797.db2.gz NIVGVCRJKYOVBJ-CTNGQTDRSA-N 1 3 409.496 3.528 20 0 HHADHO O=C(N1CC[C@H]([NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000521690379 1010553940 /nfs/dbraw/zinc/55/39/40/1010553940.db2.gz NIVGVCRJKYOVBJ-PZJWPPBQSA-N 1 3 409.496 3.528 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548773959 1010727511 /nfs/dbraw/zinc/72/75/11/1010727511.db2.gz CHJOINPLCKEZMH-OKJKUSBXSA-N 1 3 408.586 3.942 20 0 HHADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000540613245 1011264935 /nfs/dbraw/zinc/26/49/35/1011264935.db2.gz IKMAEAYIDLRARX-UHFFFAOYSA-N 1 3 404.986 3.527 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000536155713 1011280481 /nfs/dbraw/zinc/28/04/81/1011280481.db2.gz OLEODYAIDUJFMG-JFTIXFDTSA-N 1 3 406.574 3.784 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000536155713 1011280495 /nfs/dbraw/zinc/28/04/95/1011280495.db2.gz OLEODYAIDUJFMG-JFTIXFDTSA-N 1 3 406.574 3.784 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)CC1 ZINC000523338334 1011815698 /nfs/dbraw/zinc/81/56/98/1011815698.db2.gz ZOQFXCYSXWCSRM-UHFFFAOYSA-N 1 3 420.601 3.743 20 0 HHADHO CC(C)CN(CC(F)(F)F)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536708129 1011879469 /nfs/dbraw/zinc/87/94/69/1011879469.db2.gz OVOATJRZVGKSKM-UHFFFAOYSA-N 1 3 414.516 3.667 20 0 HHADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472957 1011982813 /nfs/dbraw/zinc/98/28/13/1011982813.db2.gz HWCHDBTWTKYHHI-ZJSXRUAMSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472957 1011982840 /nfs/dbraw/zinc/98/28/40/1011982840.db2.gz HWCHDBTWTKYHHI-ZJSXRUAMSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000536860486 1012093999 /nfs/dbraw/zinc/09/39/99/1012093999.db2.gz ZYMHUYPLOAPBAH-QGZVFWFLSA-N 1 3 417.500 3.964 20 0 HHADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000552900006 1012900758 /nfs/dbraw/zinc/90/07/58/1012900758.db2.gz YBKVRDISSNJHFG-HSALFYBXSA-N 1 3 422.635 3.943 20 0 HHADHO COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272054 1072058599 /nfs/dbraw/zinc/05/85/99/1072058599.db2.gz KBHSHFOUPLSSLC-RPWUZVMVSA-N 1 3 406.570 3.918 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)N(C)C)cc1 ZINC000586865211 1072487799 /nfs/dbraw/zinc/48/77/99/1072487799.db2.gz HKEQHNPTDCHQIF-XMMPIXPASA-N 1 3 408.590 3.809 20 0 HHADHO C[C@@H](CN1CCOCC1)C[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340385 1072518680 /nfs/dbraw/zinc/51/86/80/1072518680.db2.gz VLRASDMJBNBZBB-GOSISDBHSA-N 1 3 413.528 3.570 20 0 HHADHO C[C@@H](CN1CCOCC1)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340385 1072518692 /nfs/dbraw/zinc/51/86/92/1072518692.db2.gz VLRASDMJBNBZBB-GOSISDBHSA-N 1 3 413.528 3.570 20 0 HHADHO C[C@@H](CN1CCOCC1)CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340385 1072518700 /nfs/dbraw/zinc/51/87/00/1072518700.db2.gz VLRASDMJBNBZBB-GOSISDBHSA-N 1 3 413.528 3.570 20 0 HHADHO CNC(=O)N[C@H]1CC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)c2ccc(C)cc21 ZINC001168377944 1072531942 /nfs/dbraw/zinc/53/19/42/1072531942.db2.gz OLNNEWCJRXROCK-QHCPKHFHSA-N 1 3 410.606 3.577 20 0 HHADHO Fc1cccnc1N1CC[C@]2(C1)C[N@@H+](C1CCN(CC3CC3)CC1)CCC2(F)F ZINC001168379261 1072657016 /nfs/dbraw/zinc/65/70/16/1072657016.db2.gz GCQTXPJNYDKSTE-OAQYLSRUSA-N 1 3 408.512 3.633 20 0 HHADHO Fc1cccnc1N1CC[C@]2(C1)C[N@H+](C1CCN(CC3CC3)CC1)CCC2(F)F ZINC001168379261 1072657021 /nfs/dbraw/zinc/65/70/21/1072657021.db2.gz GCQTXPJNYDKSTE-OAQYLSRUSA-N 1 3 408.512 3.633 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000572024713 1073114004 /nfs/dbraw/zinc/11/40/04/1073114004.db2.gz VXXCRHMUBXCMST-JOCHJYFZSA-N 1 3 418.589 3.516 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060568 1073535343 /nfs/dbraw/zinc/53/53/43/1073535343.db2.gz RRKGXVUEQVTADZ-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060568 1073535356 /nfs/dbraw/zinc/53/53/56/1073535356.db2.gz RRKGXVUEQVTADZ-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)C[C@H](C)O1 ZINC000590060568 1073535366 /nfs/dbraw/zinc/53/53/66/1073535366.db2.gz RRKGXVUEQVTADZ-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO CC(C)CN(CC[NH+](C)C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000592559562 1074789454 /nfs/dbraw/zinc/78/94/54/1074789454.db2.gz UZICAHZYCKLSRS-UHFFFAOYSA-N 1 3 409.018 3.781 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594248963 1075271296 /nfs/dbraw/zinc/27/12/96/1075271296.db2.gz BFWKBEUBUGGCGB-JOCHJYFZSA-N 1 3 416.635 3.760 20 0 HHADHO CN(Cc1ccc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646396 719297256 /nfs/dbraw/zinc/29/72/56/719297256.db2.gz BEERFEIBVOXOEW-LADGPHEKSA-N 1 3 410.537 3.864 20 0 HHADHO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(CNC4CCC4)c3C2)nc1 ZINC001164843001 720739928 /nfs/dbraw/zinc/73/99/28/720739928.db2.gz HBGLYFOXYJNTEO-QFIPXVFZSA-N 1 3 408.594 3.877 20 0 HHADHO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(CNC4CCC4)c3C2)nc1 ZINC001164843001 720739934 /nfs/dbraw/zinc/73/99/34/720739934.db2.gz HBGLYFOXYJNTEO-QFIPXVFZSA-N 1 3 408.594 3.877 20 0 HHADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164768939 721234167 /nfs/dbraw/zinc/23/41/67/721234167.db2.gz YUWXLPHKBZPGLN-WXFUMESZSA-N 1 3 422.621 3.710 20 0 HHADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164768939 721234175 /nfs/dbraw/zinc/23/41/75/721234175.db2.gz YUWXLPHKBZPGLN-WXFUMESZSA-N 1 3 422.621 3.710 20 0 HHADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165023259 721821546 /nfs/dbraw/zinc/82/15/46/721821546.db2.gz ILVJZIUBJHOFLR-LDQXTDLNSA-N 1 3 411.981 3.513 20 0 HHADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001165023259 721821548 /nfs/dbraw/zinc/82/15/48/721821548.db2.gz ILVJZIUBJHOFLR-LDQXTDLNSA-N 1 3 411.981 3.513 20 0 HHADHO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996148 722212428 /nfs/dbraw/zinc/21/24/28/722212428.db2.gz MBTCKJWXATXDDE-VWLOTQADSA-N 1 3 424.564 3.939 20 0 HHADHO Cc1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc(C)c1OCc1ccccn1 ZINC000303748680 972001516 /nfs/dbraw/zinc/00/15/16/972001516.db2.gz HAMKMYNPHYCXRJ-OAQYLSRUSA-N 1 3 409.574 3.868 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)CC2)CC1 ZINC000051761348 964689244 /nfs/dbraw/zinc/68/92/44/964689244.db2.gz OTWYMVMIRNKFRX-NRFANRHFSA-N 1 3 419.013 3.615 20 0 HHADHO CN(Cc1cccc(Cl)c1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759767 964689933 /nfs/dbraw/zinc/68/99/33/964689933.db2.gz OENKUKFYNVVJIC-UHFFFAOYSA-N 1 3 413.393 3.693 20 0 HHADHO C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553681502 1013542885 /nfs/dbraw/zinc/54/28/85/1013542885.db2.gz PAOLFIPELXHLLD-IRLDBZIGSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553681502 1013542889 /nfs/dbraw/zinc/54/28/89/1013542889.db2.gz PAOLFIPELXHLLD-IRLDBZIGSA-N 1 3 412.578 3.654 20 0 HHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000537968727 1013545880 /nfs/dbraw/zinc/54/58/80/1013545880.db2.gz UQUXZMXAHBYJMN-IKGGRYGDSA-N 1 3 415.500 3.902 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000537969919 1013546562 /nfs/dbraw/zinc/54/65/62/1013546562.db2.gz XTEAHAAFJALPAK-IBGZPJMESA-N 1 3 403.979 3.958 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000537972038 1013548720 /nfs/dbraw/zinc/54/87/20/1013548720.db2.gz SLPPDIANYPJZEN-QHCPKHFHSA-N 1 3 409.599 3.632 20 0 HHADHO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034614 1013607135 /nfs/dbraw/zinc/60/71/35/1013607135.db2.gz JSWUTWLKCAZROQ-DEOSSOPVSA-N 1 3 414.638 3.900 20 0 HHADHO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1)CC(C)C ZINC000538034614 1013607140 /nfs/dbraw/zinc/60/71/40/1013607140.db2.gz JSWUTWLKCAZROQ-DEOSSOPVSA-N 1 3 414.638 3.900 20 0 HHADHO COc1ccc(Cc2nc(C)c([C@H](C)NCC3=CC[N@H+](C)CC3)s2)cc1OC ZINC000553787032 1013614382 /nfs/dbraw/zinc/61/43/82/1013614382.db2.gz IRBQTSLBDNEAJA-HNNXBMFYSA-N 1 3 401.576 3.972 20 0 HHADHO COc1ccc(Cc2nc(C)c([C@H](C)NCC3=CC[N@@H+](C)CC3)s2)cc1OC ZINC000553787032 1013614387 /nfs/dbraw/zinc/61/43/87/1013614387.db2.gz IRBQTSLBDNEAJA-HNNXBMFYSA-N 1 3 401.576 3.972 20 0 HHADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000061791258 966555397 /nfs/dbraw/zinc/55/53/97/966555397.db2.gz VWOXOQBXRBSCDK-UHFFFAOYSA-N 1 3 418.651 3.864 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000061792217 966556795 /nfs/dbraw/zinc/55/67/95/966556795.db2.gz XBNZOTFVRRSMOR-MOPGFXCFSA-N 1 3 404.624 3.662 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000061792217 966556800 /nfs/dbraw/zinc/55/68/00/966556800.db2.gz XBNZOTFVRRSMOR-MOPGFXCFSA-N 1 3 404.624 3.662 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063148918 966762052 /nfs/dbraw/zinc/76/20/52/966762052.db2.gz AJQAFFSDARNRBK-FQEVSTJZSA-N 1 3 402.652 3.770 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063148918 966762059 /nfs/dbraw/zinc/76/20/59/966762059.db2.gz AJQAFFSDARNRBK-FQEVSTJZSA-N 1 3 402.652 3.770 20 0 HHADHO O=C(CCC[NH2+]C1CCN(C2CCCCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000542842582 1013702867 /nfs/dbraw/zinc/70/28/67/1013702867.db2.gz WKTBDCQDHRIAJW-UHFFFAOYSA-N 1 3 412.622 3.502 20 0 HHADHO CC(=O)Nc1ccc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000542844927 1013704354 /nfs/dbraw/zinc/70/43/54/1013704354.db2.gz ZUYCUZQZYGDWIZ-NRFANRHFSA-N 1 3 408.590 3.894 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000542848289 1013707618 /nfs/dbraw/zinc/70/76/18/1013707618.db2.gz WWOWGQWSIVPEPS-YADARESESA-N 1 3 424.589 3.978 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000542848289 1013707626 /nfs/dbraw/zinc/70/76/26/1013707626.db2.gz WWOWGQWSIVPEPS-YADARESESA-N 1 3 424.589 3.978 20 0 HHADHO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCCN1CCC(Cc2ccccc2)CC1 ZINC000538218391 1013769634 /nfs/dbraw/zinc/76/96/34/1013769634.db2.gz WHLOCGJYLVPCGL-PKTZIBPZSA-N 1 3 406.636 3.667 20 0 HHADHO COc1cccc([C@H](C[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268519 1013809055 /nfs/dbraw/zinc/80/90/55/1013809055.db2.gz IODNNQOGFIDZOH-PKTZIBPZSA-N 1 3 409.574 3.876 20 0 HHADHO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(CN2CCCC2)c1 ZINC000065937467 968727136 /nfs/dbraw/zinc/72/71/36/968727136.db2.gz HPFHFVAORGUMBV-UHFFFAOYSA-N 1 3 401.501 3.765 20 0 HHADHO CCc1cc(N2CCC[C@@H]([NH2+][C@H]3CC4(CCN(C)CC4)Oc4ccccc43)C2)ncn1 ZINC000538295210 1013829958 /nfs/dbraw/zinc/82/99/58/1013829958.db2.gz YWHYJDBRHCGFHU-IRLDBZIGSA-N 1 3 421.589 3.586 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000071919687 968889444 /nfs/dbraw/zinc/88/94/44/968889444.db2.gz QMXLEQNZNWBPTF-XPNTWCBSSA-N 1 3 400.611 3.881 20 0 HHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000096626715 969049507 /nfs/dbraw/zinc/04/95/07/969049507.db2.gz MLHKKCVZDCVZPL-QFIPXVFZSA-N 1 3 409.549 3.819 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000110430676 969667235 /nfs/dbraw/zinc/66/72/35/969667235.db2.gz CLMIRBYJPHHPGG-MZKRTTBSSA-N 1 3 418.622 3.545 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000116393333 969890318 /nfs/dbraw/zinc/89/03/18/969890318.db2.gz WFWRKTUBWOLURI-PXDATVDWSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000116393333 969890323 /nfs/dbraw/zinc/89/03/23/969890323.db2.gz WFWRKTUBWOLURI-PXDATVDWSA-N 1 3 420.601 3.842 20 0 HHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000116437221 969894905 /nfs/dbraw/zinc/89/49/05/969894905.db2.gz WJRANRZSEVPQCD-QFIPXVFZSA-N 1 3 424.614 3.790 20 0 HHADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000116437221 969894913 /nfs/dbraw/zinc/89/49/13/969894913.db2.gz WJRANRZSEVPQCD-QFIPXVFZSA-N 1 3 424.614 3.790 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000554350077 1013918400 /nfs/dbraw/zinc/91/84/00/1013918400.db2.gz ZAGUJOKGKPPEGF-QFIPXVFZSA-N 1 3 418.589 3.516 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H](C)O1 ZINC000195719215 969979090 /nfs/dbraw/zinc/97/90/90/969979090.db2.gz BYFQYIGDUPYKSE-CALCHBBNSA-N 1 3 421.383 3.614 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000236849751 970180394 /nfs/dbraw/zinc/18/03/94/970180394.db2.gz FRZHADXYOUSDIQ-HXUWFJFHSA-N 1 3 421.564 3.794 20 0 HHADHO COCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000237129536 970227818 /nfs/dbraw/zinc/22/78/18/970227818.db2.gz QCEAYLBWHBPATL-UHFFFAOYSA-N 1 3 420.557 3.748 20 0 HHADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000145400563 970259945 /nfs/dbraw/zinc/25/99/45/970259945.db2.gz UJOTYPPWZUOINB-NRFANRHFSA-N 1 3 412.603 3.534 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000410323170 973872122 /nfs/dbraw/zinc/87/21/22/973872122.db2.gz LVGVFNHGUGJQTM-UHFFFAOYSA-N 1 3 424.589 3.858 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377208 973974974 /nfs/dbraw/zinc/97/49/74/973974974.db2.gz YPMUVJFALHUZJC-PXDATVDWSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377208 973974984 /nfs/dbraw/zinc/97/49/84/973974984.db2.gz YPMUVJFALHUZJC-PXDATVDWSA-N 1 3 420.601 3.992 20 0 HHADHO Cc1cc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000431129375 978037303 /nfs/dbraw/zinc/03/73/03/978037303.db2.gz PZEDYIDVXYKRCU-FQEVSTJZSA-N 1 3 424.593 3.587 20 0 HHADHO CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000434107618 979859037 /nfs/dbraw/zinc/85/90/37/979859037.db2.gz YFLAIOOCUAHIMY-JOCHJYFZSA-N 1 3 404.574 3.723 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521264 980916997 /nfs/dbraw/zinc/91/69/97/980916997.db2.gz GJKPJZOGXPMARF-KSEOMHKRSA-N 1 3 424.593 3.585 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521264 980917003 /nfs/dbraw/zinc/91/70/03/980917003.db2.gz GJKPJZOGXPMARF-KSEOMHKRSA-N 1 3 424.593 3.585 20 0 HHADHO O=C1c2ccccc2C(=O)N1C1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000436286699 981284398 /nfs/dbraw/zinc/28/43/98/981284398.db2.gz SSDPWWRQRUGDNF-UHFFFAOYSA-N 1 3 409.574 3.981 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000436399228 981348444 /nfs/dbraw/zinc/34/84/44/981348444.db2.gz ILKRJISRIIJDQO-PZJWPPBQSA-N 1 3 413.528 3.792 20 0 HHADHO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000460363420 982138591 /nfs/dbraw/zinc/13/85/91/982138591.db2.gz OGTZVJKMBJKVBE-PBQROFAYSA-N 1 3 409.574 3.619 20 0 HHADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000437538474 982167663 /nfs/dbraw/zinc/16/76/63/982167663.db2.gz PKNSCKOBJAROOI-UHFFFAOYSA-N 1 3 424.593 3.561 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)(N2CCCCC2)CC1 ZINC000460503927 982292801 /nfs/dbraw/zinc/29/28/01/982292801.db2.gz NARWALKVFZVMEO-VQTJNVASSA-N 1 3 423.523 3.875 20 0 HHADHO CC(C)Oc1ccc(F)cc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000438121101 982598318 /nfs/dbraw/zinc/59/83/18/982598318.db2.gz TXBCPWRBSSPJJS-UHFFFAOYSA-N 1 3 406.546 3.685 20 0 HHADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540367 982877661 /nfs/dbraw/zinc/87/76/61/982877661.db2.gz JMGMOUMKVMIBDJ-QFIPXVFZSA-N 1 3 419.997 3.706 20 0 HHADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438540367 982877682 /nfs/dbraw/zinc/87/76/82/982877682.db2.gz JMGMOUMKVMIBDJ-QFIPXVFZSA-N 1 3 419.997 3.706 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461433719 983097085 /nfs/dbraw/zinc/09/70/85/983097085.db2.gz WSZVCXHZQRLTCJ-SDHOMARFSA-N 1 3 403.570 3.632 20 0 HHADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461433719 983097089 /nfs/dbraw/zinc/09/70/89/983097089.db2.gz WSZVCXHZQRLTCJ-SDHOMARFSA-N 1 3 403.570 3.632 20 0 HHADHO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000461446676 983111620 /nfs/dbraw/zinc/11/16/20/983111620.db2.gz LGWDIEQKFINQDK-UNMCSNQZSA-N 1 3 423.523 3.775 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000439194283 983303222 /nfs/dbraw/zinc/30/32/22/983303222.db2.gz VYIVLSIJADEUAK-NMMYMHLASA-N 1 3 421.589 3.569 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439194283 983303226 /nfs/dbraw/zinc/30/32/26/983303226.db2.gz VYIVLSIJADEUAK-NMMYMHLASA-N 1 3 421.589 3.569 20 0 HHADHO O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000467969373 985610279 /nfs/dbraw/zinc/61/02/79/985610279.db2.gz MCZHEQHXMIEOSZ-UHFFFAOYSA-N 1 3 420.601 3.866 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714187 985660757 /nfs/dbraw/zinc/66/07/57/985660757.db2.gz DGBZWYRWDSMMQC-WIVXBSKCSA-N 1 3 420.601 3.717 20 0 HHADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714187 985660761 /nfs/dbraw/zinc/66/07/61/985660761.db2.gz DGBZWYRWDSMMQC-WIVXBSKCSA-N 1 3 420.601 3.717 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016655 985972569 /nfs/dbraw/zinc/97/25/69/985972569.db2.gz UWVCITSAZHZCTC-RDPSFJRHSA-N 1 3 406.574 3.602 20 0 HHADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CCN1Cc1ccccc1 ZINC000463077060 986034558 /nfs/dbraw/zinc/03/45/58/986034558.db2.gz MFDPAVITWIWUHI-RDGATRHJSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463077060 986034569 /nfs/dbraw/zinc/03/45/69/986034569.db2.gz MFDPAVITWIWUHI-RDGATRHJSA-N 1 3 423.601 3.540 20 0 HHADHO C[C@@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000463077060 986034581 /nfs/dbraw/zinc/03/45/81/986034581.db2.gz MFDPAVITWIWUHI-RDGATRHJSA-N 1 3 423.601 3.540 20 0 HHADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1 ZINC000443846797 986050206 /nfs/dbraw/zinc/05/02/06/986050206.db2.gz WPZQPFZVVABCNR-XXBNENTESA-N 1 3 424.589 3.583 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000463104352 986065052 /nfs/dbraw/zinc/06/50/52/986065052.db2.gz HSTABCBIAVQCJY-DQEYMECFSA-N 1 3 405.586 3.750 20 0 HHADHO C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144627 986114036 /nfs/dbraw/zinc/11/40/36/986114036.db2.gz KWHIYVJPGYJFFW-RZFJZAQRSA-N 1 3 407.602 3.573 20 0 HHADHO C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144627 986114038 /nfs/dbraw/zinc/11/40/38/986114038.db2.gz KWHIYVJPGYJFFW-RZFJZAQRSA-N 1 3 407.602 3.573 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463272792 986240383 /nfs/dbraw/zinc/24/03/83/986240383.db2.gz UITXOFSDLUFHFI-OFVILXPXSA-N 1 3 420.601 3.813 20 0 HHADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444346082 986528103 /nfs/dbraw/zinc/52/81/03/986528103.db2.gz RCJJOHOCCPQTJU-UHFFFAOYSA-N 1 3 410.606 3.844 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)CC1 ZINC000444843148 987001834 /nfs/dbraw/zinc/00/18/34/987001834.db2.gz AKGQJYBUNMATIK-UHFFFAOYSA-N 1 3 412.500 3.862 20 0 HHADHO C[C@@H]([NH2+]C1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCCC1)c1ccccc1 ZINC000469492076 987172834 /nfs/dbraw/zinc/17/28/34/987172834.db2.gz NNVRZXDOYHQTNV-OAQYLSRUSA-N 1 3 413.606 3.801 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000469783322 987430047 /nfs/dbraw/zinc/43/00/47/987430047.db2.gz LYGPGLOTTPTXMI-OALUTQOASA-N 1 3 413.993 3.745 20 0 HHADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000470288079 988246052 /nfs/dbraw/zinc/24/60/52/988246052.db2.gz RSUOWORFSLYXLP-PKTZIBPZSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470743597 988782836 /nfs/dbraw/zinc/78/28/36/988782836.db2.gz CPDUMYKGEBUNSE-JTHBVZDNSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470743597 988782847 /nfs/dbraw/zinc/78/28/47/988782847.db2.gz CPDUMYKGEBUNSE-JTHBVZDNSA-N 1 3 400.611 3.947 20 0 HHADHO CCS[C@H]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000464770204 988993438 /nfs/dbraw/zinc/99/34/38/988993438.db2.gz FQXIFGZWVGPEQK-YADHBBJMSA-N 1 3 403.636 3.682 20 0 HHADHO C/C=C\c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993719 989059083 /nfs/dbraw/zinc/05/90/83/989059083.db2.gz LJLKDXQNDNRYJY-AUOBVQKKSA-N 1 3 422.569 3.532 20 0 HHADHO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993719 989059088 /nfs/dbraw/zinc/05/90/88/989059088.db2.gz LJLKDXQNDNRYJY-AUOBVQKKSA-N 1 3 422.569 3.532 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000465419437 989764894 /nfs/dbraw/zinc/76/48/94/989764894.db2.gz FUFMKLCQWSDIFG-RPBOFIJWSA-N 1 3 422.617 3.713 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000465419437 989764904 /nfs/dbraw/zinc/76/49/04/989764904.db2.gz FUFMKLCQWSDIFG-RPBOFIJWSA-N 1 3 422.617 3.713 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465611557 989996761 /nfs/dbraw/zinc/99/67/61/989996761.db2.gz VPLDRZOSUHFDOU-FGZHOGPDSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000465611557 989996767 /nfs/dbraw/zinc/99/67/67/989996767.db2.gz VPLDRZOSUHFDOU-FGZHOGPDSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000465616445 990002408 /nfs/dbraw/zinc/00/24/08/990002408.db2.gz SKUANBAGRAZZDB-JOCHJYFZSA-N 1 3 408.590 3.815 20 0 HHADHO C[C@@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000465616445 990002412 /nfs/dbraw/zinc/00/24/12/990002412.db2.gz SKUANBAGRAZZDB-JOCHJYFZSA-N 1 3 408.590 3.815 20 0 HHADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000466096578 991275076 /nfs/dbraw/zinc/27/50/76/991275076.db2.gz REEOFNZYBKEHGM-UHFFFAOYSA-N 1 3 414.516 3.653 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248275 991484230 /nfs/dbraw/zinc/48/42/30/991484230.db2.gz KTEOOYDVXWWQKA-NQHRYMMQSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466248275 991484235 /nfs/dbraw/zinc/48/42/35/991484235.db2.gz KTEOOYDVXWWQKA-NQHRYMMQSA-N 1 3 420.601 3.513 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000466437288 991725891 /nfs/dbraw/zinc/72/58/91/991725891.db2.gz AEWVOCQNRBJSFX-GBXCKJPGSA-N 1 3 406.574 3.745 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)c2)CC1 ZINC000481461587 994296943 /nfs/dbraw/zinc/29/69/43/994296943.db2.gz FPXPXPFLKXCQCB-UHFFFAOYSA-N 1 3 413.610 3.619 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)c3cccc(Cl)c3F)CC2)CC1 ZINC000473935201 994908755 /nfs/dbraw/zinc/90/87/55/994908755.db2.gz AILBUORNKRBYCO-UHFFFAOYSA-N 1 3 410.965 3.572 20 0 HHADHO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102771 995048949 /nfs/dbraw/zinc/04/89/49/995048949.db2.gz LLLRBDQSGORTHW-DSNGMDLFSA-N 1 3 419.569 3.754 20 0 HHADHO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CCN2C2CC2)c1 ZINC000482102771 995048955 /nfs/dbraw/zinc/04/89/55/995048955.db2.gz LLLRBDQSGORTHW-DSNGMDLFSA-N 1 3 419.569 3.754 20 0 HHADHO CC[NH+]1CCN(Cc2ccc(CNCc3cc(C(=O)OC)ccc3Cl)cc2)CC1 ZINC000482154439 995108201 /nfs/dbraw/zinc/10/82/01/995108201.db2.gz SUZHESRQBSOVCP-UHFFFAOYSA-N 1 3 415.965 3.554 20 0 HHADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(-c2ccncc2)c1 ZINC000482234585 995217567 /nfs/dbraw/zinc/21/75/67/995217567.db2.gz NIUCXQKDRZMNFM-IBGZPJMESA-N 1 3 402.542 3.891 20 0 HHADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(-n2cnnn2)cc1 ZINC000482633160 995627223 /nfs/dbraw/zinc/62/72/23/995627223.db2.gz RJKHYBIMRUQRRQ-QGZVFWFLSA-N 1 3 410.953 3.879 20 0 HHADHO CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475001699 995857905 /nfs/dbraw/zinc/85/79/05/995857905.db2.gz XJBGQPFJKXNNEJ-JOCHJYFZSA-N 1 3 410.562 3.755 20 0 HHADHO C[NH+](C)[C@@H](CNC(=O)CNC(C)(C)c1ccc(Br)cc1)c1ccccc1 ZINC000475030195 995881652 /nfs/dbraw/zinc/88/16/52/995881652.db2.gz RAMTTWMTEPKUII-IBGZPJMESA-N 1 3 418.379 3.693 20 0 HHADHO CC[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N1CCc2ccccc2C1 ZINC000475138407 995947380 /nfs/dbraw/zinc/94/73/80/995947380.db2.gz KQSNZQKETFPKCI-HSZRJFAPSA-N 1 3 412.622 3.920 20 0 HHADHO C[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-c2ccncc2)cc1 ZINC000475138458 995947455 /nfs/dbraw/zinc/94/74/55/995947455.db2.gz MLIZMMOEKFRURD-NTKDMRAZSA-N 1 3 402.542 3.818 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475290195 996048110 /nfs/dbraw/zinc/04/81/10/996048110.db2.gz GTVQBWGWKBPHMX-SDUSCBPUSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475290195 996048116 /nfs/dbraw/zinc/04/81/16/996048116.db2.gz GTVQBWGWKBPHMX-SDUSCBPUSA-N 1 3 420.601 3.813 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)CC1 ZINC000475455145 996151105 /nfs/dbraw/zinc/15/11/05/996151105.db2.gz XAPJENMKNIGFFD-UHFFFAOYSA-N 1 3 418.541 3.783 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487563 996213034 /nfs/dbraw/zinc/21/30/34/996213034.db2.gz RBEHGXAJANQRHR-DGWZTRNLSA-N 1 3 424.585 3.559 20 0 HHADHO COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000483487563 996213039 /nfs/dbraw/zinc/21/30/39/996213039.db2.gz RBEHGXAJANQRHR-DGWZTRNLSA-N 1 3 424.585 3.559 20 0 HHADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000483894103 996454007 /nfs/dbraw/zinc/45/40/07/996454007.db2.gz GPZPUXKAEQAHMR-NRFANRHFSA-N 1 3 416.635 3.618 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(COC4CCCC4)cc3)CC2)CC1 ZINC000483943393 996481391 /nfs/dbraw/zinc/48/13/91/996481391.db2.gz PWCNZBPMDDXVQK-UHFFFAOYSA-N 1 3 414.594 3.826 20 0 HHADHO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493284 996817009 /nfs/dbraw/zinc/81/70/09/996817009.db2.gz BWOSRWMOIDNUNL-QRVBRYPASA-N 1 3 415.603 3.865 20 0 HHADHO COc1cc(Cl)c(Cl)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000485018158 997383221 /nfs/dbraw/zinc/38/32/21/997383221.db2.gz CUWBJGSZYBYKMU-UHFFFAOYSA-N 1 3 415.365 3.682 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000476877489 997456788 /nfs/dbraw/zinc/45/67/88/997456788.db2.gz GBOLUNZRUCOWKQ-XMMPIXPASA-N 1 3 424.589 3.783 20 0 HHADHO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485097707 997474304 /nfs/dbraw/zinc/47/43/04/997474304.db2.gz YVOLXTWAQXKDAS-OYRHEFFESA-N 1 3 401.595 3.843 20 0 HHADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485399169 997828780 /nfs/dbraw/zinc/82/87/80/997828780.db2.gz FZBFZFFPJBXAFO-QPPBQGQZSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485399169 997828793 /nfs/dbraw/zinc/82/87/93/997828793.db2.gz FZBFZFFPJBXAFO-QPPBQGQZSA-N 1 3 420.601 3.645 20 0 HHADHO CCOc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485410177 997842846 /nfs/dbraw/zinc/84/28/46/997842846.db2.gz STIOIJGEFOKHCT-BGYRXZFFSA-N 1 3 417.594 3.625 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N(C)Cc1ccccc1 ZINC000477377465 998065220 /nfs/dbraw/zinc/06/52/20/998065220.db2.gz GZZURWNSSVKMJC-GGAORHGYSA-N 1 3 400.611 3.660 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111580 998558935 /nfs/dbraw/zinc/55/89/35/998558935.db2.gz RSJFWCVVKHAISS-NQIIRXRSSA-N 1 3 404.624 3.791 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000486111580 998558943 /nfs/dbraw/zinc/55/89/43/998558943.db2.gz RSJFWCVVKHAISS-NQIIRXRSSA-N 1 3 404.624 3.791 20 0 HHADHO CC(C)([C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486119767 998567394 /nfs/dbraw/zinc/56/73/94/998567394.db2.gz LCVFELGNUVETQS-NRFANRHFSA-N 1 3 405.533 3.871 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478293524 998869897 /nfs/dbraw/zinc/86/98/97/998869897.db2.gz ZHJICLAAGMJKQA-GOSISDBHSA-N 1 3 418.029 3.939 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1Cc1ccccc1 ZINC000478728850 999111172 /nfs/dbraw/zinc/11/11/72/999111172.db2.gz YKODZBWJEFXKQF-HYBUGGRVSA-N 1 3 406.574 3.745 20 0 HHADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000478738052 999115874 /nfs/dbraw/zinc/11/58/74/999115874.db2.gz JJFWRGAIXQAEMY-JOCHJYFZSA-N 1 3 400.542 3.770 20 0 HHADHO COc1cccc(CN(CCN(C)C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000478757905 999125437 /nfs/dbraw/zinc/12/54/37/999125437.db2.gz DIDKBJUXFZQMTG-UHFFFAOYSA-N 1 3 424.589 3.564 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014265 999349093 /nfs/dbraw/zinc/34/90/93/999349093.db2.gz MWMCDXODQBOYCT-LSUHJGNXSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014265 999349096 /nfs/dbraw/zinc/34/90/96/999349096.db2.gz MWMCDXODQBOYCT-LSUHJGNXSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084129 999712717 /nfs/dbraw/zinc/71/27/17/999712717.db2.gz JBCHWHGXEIDUHI-DCEDVJGZSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000480084129 999712719 /nfs/dbraw/zinc/71/27/19/999712719.db2.gz JBCHWHGXEIDUHI-DCEDVJGZSA-N 1 3 411.565 3.699 20 0 HHADHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000480165063 999734809 /nfs/dbraw/zinc/73/48/09/999734809.db2.gz HPHXKPQMDANXJK-HSZRJFAPSA-N 1 3 409.574 3.990 20 0 HHADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278575 999735675 /nfs/dbraw/zinc/73/56/75/999735675.db2.gz RSIUXSUAPYAVFP-RPWUZVMVSA-N 1 3 424.589 3.743 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498772 999778932 /nfs/dbraw/zinc/77/89/32/999778932.db2.gz REMJPEQQLQHVHZ-BWKNWUBXSA-N 1 3 420.601 3.645 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000489498772 999778934 /nfs/dbraw/zinc/77/89/34/999778934.db2.gz REMJPEQQLQHVHZ-BWKNWUBXSA-N 1 3 420.601 3.645 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480450402 999802028 /nfs/dbraw/zinc/80/20/28/999802028.db2.gz UDHCIIUVDAUCBD-SFHVURJKSA-N 1 3 403.592 3.630 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000480618621 999842515 /nfs/dbraw/zinc/84/25/15/999842515.db2.gz WOTVTRFBWBXJEN-ZIAGYGMSSA-N 1 3 407.452 3.566 20 0 HHADHO C[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695399 999861508 /nfs/dbraw/zinc/86/15/08/999861508.db2.gz JOSDBVHEBRKZET-ZCNNSNEGSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695399 999861510 /nfs/dbraw/zinc/86/15/10/999861510.db2.gz JOSDBVHEBRKZET-ZCNNSNEGSA-N 1 3 404.562 3.991 20 0 HHADHO CCN1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490124849 999896741 /nfs/dbraw/zinc/89/67/41/999896741.db2.gz LTCVRCXKNVTOEC-JOCHJYFZSA-N 1 3 403.517 3.995 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000490256223 999923148 /nfs/dbraw/zinc/92/31/48/999923148.db2.gz XFVWMXDMCTUUSM-NFBKMPQASA-N 1 3 424.589 3.652 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000491082488 1000043639 /nfs/dbraw/zinc/04/36/39/1000043639.db2.gz WOTBZWQZZMTLDF-XXBNENTESA-N 1 3 416.610 3.592 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)N(C)C)cc1 ZINC000491082488 1000043642 /nfs/dbraw/zinc/04/36/42/1000043642.db2.gz WOTBZWQZZMTLDF-XXBNENTESA-N 1 3 416.610 3.592 20 0 HHADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504883676 1000426439 /nfs/dbraw/zinc/42/64/39/1000426439.db2.gz WBTZRJIFCWMAQG-DNQXCXABSA-N 1 3 406.574 3.787 20 0 HHADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504935349 1000457170 /nfs/dbraw/zinc/45/71/70/1000457170.db2.gz DULVKRARIFYMOU-XMMPIXPASA-N 1 3 406.574 3.615 20 0 HHADHO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494566740 1000557660 /nfs/dbraw/zinc/55/76/60/1000557660.db2.gz WUDRZKWEMOIAEU-QPPBQGQZSA-N 1 3 415.622 3.542 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000505272111 1000661088 /nfs/dbraw/zinc/66/10/88/1000661088.db2.gz ONXSUPDSUNWMOY-UHFFFAOYSA-N 1 3 412.622 3.557 20 0 HHADHO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000495000974 1000771790 /nfs/dbraw/zinc/77/17/90/1000771790.db2.gz YLLUKZCATVLNFH-OXJNMPFZSA-N 1 3 421.511 3.553 20 0 HHADHO C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000495000974 1000771796 /nfs/dbraw/zinc/77/17/96/1000771796.db2.gz YLLUKZCATVLNFH-OXJNMPFZSA-N 1 3 421.511 3.553 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000505605659 1000930914 /nfs/dbraw/zinc/93/09/14/1000930914.db2.gz HPSHFVTXTCRMHO-RDPSFJRHSA-N 1 3 408.590 3.638 20 0 HHADHO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506006806 1001158304 /nfs/dbraw/zinc/15/83/04/1001158304.db2.gz IMGHEVMXCAFYGM-HXUWFJFHSA-N 1 3 401.595 3.961 20 0 HHADHO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506052052 1001193094 /nfs/dbraw/zinc/19/30/94/1001193094.db2.gz QLGNIOOLUNYKEM-SFHVURJKSA-N 1 3 407.986 3.800 20 0 HHADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245942 1001304222 /nfs/dbraw/zinc/30/42/22/1001304222.db2.gz CMJAIJDILCSDJW-QFIPXVFZSA-N 1 3 406.574 3.679 20 0 HHADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000506245942 1001304225 /nfs/dbraw/zinc/30/42/25/1001304225.db2.gz CMJAIJDILCSDJW-QFIPXVFZSA-N 1 3 406.574 3.679 20 0 HHADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000497633221 1001466177 /nfs/dbraw/zinc/46/61/77/1001466177.db2.gz LNQRPVIESVROMO-WZONZLPQSA-N 1 3 412.553 3.953 20 0 HHADHO C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000497865835 1001542183 /nfs/dbraw/zinc/54/21/83/1001542183.db2.gz BCYFQPIDVYQJGG-JOCHJYFZSA-N 1 3 403.574 3.774 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022095 1001609085 /nfs/dbraw/zinc/60/90/85/1001609085.db2.gz CVAUQBPTLKHQJK-CUWPLCDZSA-N 1 3 418.582 3.872 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022095 1001609090 /nfs/dbraw/zinc/60/90/90/1001609090.db2.gz CVAUQBPTLKHQJK-CUWPLCDZSA-N 1 3 418.582 3.872 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707382 1002091472 /nfs/dbraw/zinc/09/14/72/1002091472.db2.gz SXPBGXJDCSFFKA-XUZZJYLKSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707382 1002091483 /nfs/dbraw/zinc/09/14/83/1002091483.db2.gz SXPBGXJDCSFFKA-XUZZJYLKSA-N 1 3 408.590 3.670 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507518347 1002128379 /nfs/dbraw/zinc/12/83/79/1002128379.db2.gz CPWSJIYBEHIKLD-AGILITTLSA-N 1 3 417.553 3.563 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c(OCC)c2)CC1 ZINC000507593368 1002199304 /nfs/dbraw/zinc/19/93/04/1002199304.db2.gz LTUNSOSMQKROJM-HXUWFJFHSA-N 1 3 416.610 3.820 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c(OCC)c2)CC1 ZINC000507593368 1002199315 /nfs/dbraw/zinc/19/93/15/1002199315.db2.gz LTUNSOSMQKROJM-HXUWFJFHSA-N 1 3 416.610 3.820 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898943 1002289783 /nfs/dbraw/zinc/28/97/83/1002289783.db2.gz UCTVBKURGSOSKR-LEOXJPRUSA-N 1 3 412.553 3.781 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898943 1002289787 /nfs/dbraw/zinc/28/97/87/1002289787.db2.gz UCTVBKURGSOSKR-LEOXJPRUSA-N 1 3 412.553 3.781 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114492 1002504035 /nfs/dbraw/zinc/50/40/35/1002504035.db2.gz XVFJKMLFMYZYNP-SEIRJHJZSA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000499114492 1002504038 /nfs/dbraw/zinc/50/40/38/1002504038.db2.gz XVFJKMLFMYZYNP-SEIRJHJZSA-N 1 3 412.578 3.919 20 0 HHADHO c1csc([C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)c1 ZINC000499141844 1002526489 /nfs/dbraw/zinc/52/64/89/1002526489.db2.gz NLWZFCUGVHOHCD-BXXSPATCSA-N 1 3 411.615 3.907 20 0 HHADHO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508698064 1003135590 /nfs/dbraw/zinc/13/55/90/1003135590.db2.gz NLTDMMLIAZHKGC-APTRMMRNSA-N 1 3 407.558 3.804 20 0 HHADHO COc1ccc([C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713099 1003151831 /nfs/dbraw/zinc/15/18/31/1003151831.db2.gz SBTIGRKPYOMOBD-VJBMBRPKSA-N 1 3 411.590 3.807 20 0 HHADHO COc1ccc([C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1OC ZINC000508713099 1003151837 /nfs/dbraw/zinc/15/18/37/1003151837.db2.gz SBTIGRKPYOMOBD-VJBMBRPKSA-N 1 3 411.590 3.807 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722286 1003162617 /nfs/dbraw/zinc/16/26/17/1003162617.db2.gz XBPUZPKKHFTBIO-CVJWPJSTSA-N 1 3 423.601 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109756 1003472519 /nfs/dbraw/zinc/47/25/19/1003472519.db2.gz IWIFLAGTAMZMHY-REHUZNOOSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000500109756 1003472526 /nfs/dbraw/zinc/47/25/26/1003472526.db2.gz IWIFLAGTAMZMHY-REHUZNOOSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000509020030 1003492157 /nfs/dbraw/zinc/49/21/57/1003492157.db2.gz BHIOQPYHARNIQS-ZCYQVOJMSA-N 1 3 406.618 3.699 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000500131828 1003492733 /nfs/dbraw/zinc/49/27/33/1003492733.db2.gz NMGQWZQTCAOZJR-YYDVJCTNSA-N 1 3 409.578 3.598 20 0 HHADHO CCCN(C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000509030061 1003500608 /nfs/dbraw/zinc/50/06/08/1003500608.db2.gz HHDAYWVVWWSMQI-RXVVDRJESA-N 1 3 407.002 3.850 20 0 HHADHO Cc1ccc(C[C@@H]2CCCN2CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000500180512 1003529543 /nfs/dbraw/zinc/52/95/43/1003529543.db2.gz HMILWAVNKMFFIE-VWLOTQADSA-N 1 3 405.586 3.914 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000500372168 1003668653 /nfs/dbraw/zinc/66/86/53/1003668653.db2.gz UOYVZYYSJZMNAB-MOPGFXCFSA-N 1 3 410.389 3.772 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000500606543 1003822834 /nfs/dbraw/zinc/82/28/34/1003822834.db2.gz JYVJKZHLHFQOED-BBHUYCHWSA-N 1 3 416.610 3.640 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000500719441 1003919075 /nfs/dbraw/zinc/91/90/75/1003919075.db2.gz ZOCIKFPLSAABAN-OFNKIYASSA-N 1 3 421.589 3.775 20 0 HHADHO O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237450 1004139114 /nfs/dbraw/zinc/13/91/14/1004139114.db2.gz RCYCFWOAPIKCSB-GMAHTHKFSA-N 1 3 400.950 3.678 20 0 HHADHO O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512237450 1004139124 /nfs/dbraw/zinc/13/91/24/1004139124.db2.gz RCYCFWOAPIKCSB-GMAHTHKFSA-N 1 3 400.950 3.678 20 0 HHADHO CN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037586 1004140981 /nfs/dbraw/zinc/14/09/81/1004140981.db2.gz HAUNYYNAFVJDOU-UHFFFAOYSA-N 1 3 406.452 3.887 20 0 HHADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247721 1004150251 /nfs/dbraw/zinc/15/02/51/1004150251.db2.gz AEHLCJOOMJCLCV-GOSISDBHSA-N 1 3 407.574 3.625 20 0 HHADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000512247721 1004150260 /nfs/dbraw/zinc/15/02/60/1004150260.db2.gz AEHLCJOOMJCLCV-GOSISDBHSA-N 1 3 407.574 3.625 20 0 HHADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048913 1004150304 /nfs/dbraw/zinc/15/03/04/1004150304.db2.gz IKLBDEHYYGDUML-QGZVFWFLSA-N 1 3 416.516 3.728 20 0 HHADHO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271602 1004172078 /nfs/dbraw/zinc/17/20/78/1004172078.db2.gz UWMZRXQSZYVOHY-SQJMNOBHSA-N 1 3 405.542 3.506 20 0 HHADHO O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512271602 1004172088 /nfs/dbraw/zinc/17/20/88/1004172088.db2.gz UWMZRXQSZYVOHY-SQJMNOBHSA-N 1 3 405.542 3.506 20 0 HHADHO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000501271544 1004325644 /nfs/dbraw/zinc/32/56/44/1004325644.db2.gz ODNOMAOCKJPDDY-HXUWFJFHSA-N 1 3 421.585 3.796 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501386037 1004382115 /nfs/dbraw/zinc/38/21/15/1004382115.db2.gz OSAKFSIFBSQEAN-ZNDGRNAPSA-N 1 3 420.601 3.859 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501386037 1004382119 /nfs/dbraw/zinc/38/21/19/1004382119.db2.gz OSAKFSIFBSQEAN-ZNDGRNAPSA-N 1 3 420.601 3.859 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621626 1004435234 /nfs/dbraw/zinc/43/52/34/1004435234.db2.gz ZXMBMPZFAXLRMX-IEIRFRATSA-N 1 3 411.977 3.960 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000512621626 1004435238 /nfs/dbraw/zinc/43/52/38/1004435238.db2.gz ZXMBMPZFAXLRMX-IEIRFRATSA-N 1 3 411.977 3.960 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000512648949 1004460220 /nfs/dbraw/zinc/46/02/20/1004460220.db2.gz RQWLBLYMGUYDNX-OAQYLSRUSA-N 1 3 414.638 3.591 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648998 1004460246 /nfs/dbraw/zinc/46/02/46/1004460246.db2.gz PXGXUMGCMRXXMB-IEZKXTBUSA-N 1 3 407.558 3.914 20 0 HHADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512648998 1004460253 /nfs/dbraw/zinc/46/02/53/1004460253.db2.gz PXGXUMGCMRXXMB-IEZKXTBUSA-N 1 3 407.558 3.914 20 0 HHADHO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501534267 1004497682 /nfs/dbraw/zinc/49/76/82/1004497682.db2.gz CTXOECNLZOABMX-PMACEKPBSA-N 1 3 406.574 3.986 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693163 1004499128 /nfs/dbraw/zinc/49/91/28/1004499128.db2.gz HKRGDGYUIVFUFX-ROUUACIJSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693163 1004499132 /nfs/dbraw/zinc/49/91/32/1004499132.db2.gz HKRGDGYUIVFUFX-ROUUACIJSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512698706 1004503184 /nfs/dbraw/zinc/50/31/84/1004503184.db2.gz KWOSZMDBVRDTNK-FUDKSRODSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512698706 1004503192 /nfs/dbraw/zinc/50/31/92/1004503192.db2.gz KWOSZMDBVRDTNK-FUDKSRODSA-N 1 3 412.622 3.945 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)N(C)C)cc1 ZINC000512831078 1004589422 /nfs/dbraw/zinc/58/94/22/1004589422.db2.gz FDALZVWVINZHLK-GGAORHGYSA-N 1 3 416.610 3.736 20 0 HHADHO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000501790802 1004732955 /nfs/dbraw/zinc/73/29/55/1004732955.db2.gz OTXBLXRUUZYHQS-KRWDZBQOSA-N 1 3 424.427 3.850 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000510649899 1004778702 /nfs/dbraw/zinc/77/87/02/1004778702.db2.gz IQMYPGQLDGNNCI-HXUWFJFHSA-N 1 3 416.363 3.518 20 0 HHADHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000510840551 1004885397 /nfs/dbraw/zinc/88/53/97/1004885397.db2.gz GAVKNYNPWHIWJQ-OAQYLSRUSA-N 1 3 401.501 3.887 20 0 HHADHO C[NH+]1CCC2(CCCN2C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000511008417 1004977727 /nfs/dbraw/zinc/97/77/27/1004977727.db2.gz DOGJIALDMKKSBI-UHFFFAOYSA-N 1 3 419.013 3.822 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)cc1 ZINC000513667726 1005074621 /nfs/dbraw/zinc/07/46/21/1005074621.db2.gz WCDWAZWECIQMCO-UHFFFAOYSA-N 1 3 409.574 3.910 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230632 1005083294 /nfs/dbraw/zinc/08/32/94/1005083294.db2.gz RUZXEELCWCGPSC-FJIJXJHWSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230632 1005083299 /nfs/dbraw/zinc/08/32/99/1005083299.db2.gz RUZXEELCWCGPSC-FJIJXJHWSA-N 1 3 412.622 3.945 20 0 HHADHO CN1CCO[C@@H]([C@H](NCc2ccc(F)c(C[NH+](C)C)c2)c2ccc(Cl)cc2)C1 ZINC000511366873 1005141239 /nfs/dbraw/zinc/14/12/39/1005141239.db2.gz LBZVAZDAOMCIJK-FGZHOGPDSA-N 1 3 405.945 3.702 20 0 HHADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000514008841 1005225870 /nfs/dbraw/zinc/22/58/70/1005225870.db2.gz SPQHXRAHZDTFFR-UHFFFAOYSA-N 1 3 400.336 3.721 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000502829071 1005235643 /nfs/dbraw/zinc/23/56/43/1005235643.db2.gz PVEPKWSZWMDKCZ-FUPPJEDESA-N 1 3 400.611 3.708 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000502829071 1005235647 /nfs/dbraw/zinc/23/56/47/1005235647.db2.gz PVEPKWSZWMDKCZ-FUPPJEDESA-N 1 3 400.611 3.708 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110341 1005270085 /nfs/dbraw/zinc/27/00/85/1005270085.db2.gz CSAILVJYNNHGPI-SRUXOGRHSA-N 1 3 400.611 3.879 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000514110341 1005270087 /nfs/dbraw/zinc/27/00/87/1005270087.db2.gz CSAILVJYNNHGPI-SRUXOGRHSA-N 1 3 400.611 3.879 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccc(Cl)cc4)CCCC3)CC2)CC1 ZINC000503304019 1005387090 /nfs/dbraw/zinc/38/70/90/1005387090.db2.gz GZQMGLGHFHBWKO-UHFFFAOYSA-N 1 3 419.013 3.967 20 0 HHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174515 1005566789 /nfs/dbraw/zinc/56/67/89/1005566789.db2.gz AEOFQZMZCHSEKT-XUZZJYLKSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000504174515 1005566795 /nfs/dbraw/zinc/56/67/95/1005566795.db2.gz AEOFQZMZCHSEKT-XUZZJYLKSA-N 1 3 406.574 3.739 20 0 HHADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000504435131 1005628199 /nfs/dbraw/zinc/62/81/99/1005628199.db2.gz HKUJTAUFHPWOHB-NRFANRHFSA-N 1 3 423.605 3.729 20 0 HHADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000504435131 1005628200 /nfs/dbraw/zinc/62/82/00/1005628200.db2.gz HKUJTAUFHPWOHB-NRFANRHFSA-N 1 3 423.605 3.729 20 0 HHADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514625470 1006057260 /nfs/dbraw/zinc/05/72/60/1006057260.db2.gz BXQNFFUMJUANAF-UHFFFAOYSA-N 1 3 423.479 3.855 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000514817555 1006149357 /nfs/dbraw/zinc/14/93/57/1006149357.db2.gz GCRPHPQZAYCPIB-XMERXJNXSA-N 1 3 421.585 3.618 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532210979 1006724563 /nfs/dbraw/zinc/72/45/63/1006724563.db2.gz QOIBDQBTDPILSM-NRFANRHFSA-N 1 3 420.601 3.820 20 0 HHADHO C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000532441984 1006885481 /nfs/dbraw/zinc/88/54/81/1006885481.db2.gz TZQSFJGCHLOCND-YMPZKCBVSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@H](NC[C@H](c2cccs2)N2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441984 1006885493 /nfs/dbraw/zinc/88/54/93/1006885493.db2.gz TZQSFJGCHLOCND-YMPZKCBVSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@H](NC[C@H](c2cccs2)N2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441984 1006885498 /nfs/dbraw/zinc/88/54/98/1006885498.db2.gz TZQSFJGCHLOCND-YMPZKCBVSA-N 1 3 412.647 3.679 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000538724162 1007002089 /nfs/dbraw/zinc/00/20/89/1007002089.db2.gz WECLBENIXHONIZ-SBUREZEXSA-N 1 3 416.013 3.600 20 0 HHADHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000538724162 1007002103 /nfs/dbraw/zinc/00/21/03/1007002103.db2.gz WECLBENIXHONIZ-SBUREZEXSA-N 1 3 416.013 3.600 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578131 1007163998 /nfs/dbraw/zinc/16/39/98/1007163998.db2.gz OOIXDRCNWYHVNC-NZQKXSOJSA-N 1 3 400.611 3.975 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000516578131 1007164010 /nfs/dbraw/zinc/16/40/10/1007164010.db2.gz OOIXDRCNWYHVNC-NZQKXSOJSA-N 1 3 400.611 3.975 20 0 HHADHO COc1ccccc1[C@@H](C)N(C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944851 1007229417 /nfs/dbraw/zinc/22/94/17/1007229417.db2.gz AEIBKPXBPQRBRB-HXUWFJFHSA-N 1 3 424.589 3.848 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062472 1007355603 /nfs/dbraw/zinc/35/56/03/1007355603.db2.gz XOUXPIMHUZZEOX-IPMKNSEASA-N 1 3 409.368 3.630 20 0 HHADHO CN1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000535338799 1007390505 /nfs/dbraw/zinc/39/05/05/1007390505.db2.gz DKRNSFOGQFAEBU-BJKOFHAPSA-N 1 3 406.574 3.917 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399051 1007464761 /nfs/dbraw/zinc/46/47/61/1007464761.db2.gz UZMIPCXSXSSPDV-KRXUUXHPSA-N 1 3 412.603 3.876 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399051 1007464799 /nfs/dbraw/zinc/46/47/99/1007464799.db2.gz UZMIPCXSXSSPDV-KRXUUXHPSA-N 1 3 412.603 3.876 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399053 1007465124 /nfs/dbraw/zinc/46/51/24/1007465124.db2.gz UZMIPCXSXSSPDV-WKDRNLAYSA-N 1 3 412.603 3.876 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC000535399053 1007465141 /nfs/dbraw/zinc/46/51/41/1007465141.db2.gz UZMIPCXSXSSPDV-WKDRNLAYSA-N 1 3 412.603 3.876 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000539306579 1007604707 /nfs/dbraw/zinc/60/47/07/1007604707.db2.gz KFOXAGLZDFNUHO-BEFAXECRSA-N 1 3 412.441 3.849 20 0 HHADHO C[NH+](C)CCOc1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccn1 ZINC000535687359 1007719592 /nfs/dbraw/zinc/71/95/92/1007719592.db2.gz UUXDDUHLABTJJH-UHFFFAOYSA-N 1 3 419.451 3.516 20 0 HHADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708186 1008026153 /nfs/dbraw/zinc/02/61/53/1008026153.db2.gz BVLHSOXOIGSLBR-SIKLNZKXSA-N 1 3 419.573 3.685 20 0 HHADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000539708186 1008026161 /nfs/dbraw/zinc/02/61/61/1008026161.db2.gz BVLHSOXOIGSLBR-SIKLNZKXSA-N 1 3 419.573 3.685 20 0 HHADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)C3)cc2)CC1 ZINC000518643860 1008376760 /nfs/dbraw/zinc/37/67/60/1008376760.db2.gz AITIKQPQTQVBEQ-RUZDIDTESA-N 1 3 420.601 3.842 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1O2 ZINC000540468389 1008443087 /nfs/dbraw/zinc/44/30/87/1008443087.db2.gz NHMKHKBFFBZPOY-ZEQRLZLVSA-N 1 3 421.585 3.638 20 0 HHADHO C[NH+](C)Cc1ccc(-c2ccccc2CN[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000543161239 1008734310 /nfs/dbraw/zinc/73/43/10/1008734310.db2.gz VSAUQSKRCZKTCR-XMMPIXPASA-N 1 3 405.517 3.741 20 0 HHADHO CCOC(=O)[C@H]1CC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000549229416 1008798549 /nfs/dbraw/zinc/79/85/49/1008798549.db2.gz UPLXFXJNHXGNSM-LOSJGSFVSA-N 1 3 422.569 3.915 20 0 HHADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)c2ccccc21 ZINC000549229416 1008798562 /nfs/dbraw/zinc/79/85/62/1008798562.db2.gz UPLXFXJNHXGNSM-LOSJGSFVSA-N 1 3 422.569 3.915 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)CC1 ZINC000543521663 1009113945 /nfs/dbraw/zinc/11/39/45/1009113945.db2.gz QESUGKMIZQUECB-UHFFFAOYSA-N 1 3 420.601 3.788 20 0 HHADHO C[C@H]1CCC[C@@](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)([NH+](C)C)C1 ZINC000520130474 1009284375 /nfs/dbraw/zinc/28/43/75/1009284375.db2.gz HBYNKFXKCIUKKT-HTAPYJJXSA-N 1 3 410.553 3.549 20 0 HHADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C)cc3-c3cnn(C)c3)cc2)CC1 ZINC000520257929 1009375905 /nfs/dbraw/zinc/37/59/05/1009375905.db2.gz QQKKEDYYISNVGA-UHFFFAOYSA-N 1 3 417.601 3.823 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000520406089 1009536588 /nfs/dbraw/zinc/53/65/88/1009536588.db2.gz ZMGJJCSPYSMWTN-BGYRXZFFSA-N 1 3 406.590 3.657 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000520406089 1009536596 /nfs/dbraw/zinc/53/65/96/1009536596.db2.gz ZMGJJCSPYSMWTN-BGYRXZFFSA-N 1 3 406.590 3.657 20 0 HHADHO COc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](CC3CCCC3)CC2)c(OC)c1 ZINC000544002512 1009603188 /nfs/dbraw/zinc/60/31/88/1009603188.db2.gz TWEDBQPKYAWVJQ-QGZVFWFLSA-N 1 3 403.567 3.665 20 0 HHADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733352 1009802135 /nfs/dbraw/zinc/80/21/35/1009802135.db2.gz AQXPSTIFUNQRCA-RXVVDRJESA-N 1 3 409.496 3.574 20 0 HHADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000520733352 1009802148 /nfs/dbraw/zinc/80/21/48/1009802148.db2.gz AQXPSTIFUNQRCA-RXVVDRJESA-N 1 3 409.496 3.574 20 0 HHADHO c1cnn(-c2ccc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262863 1009814606 /nfs/dbraw/zinc/81/46/06/1009814606.db2.gz APRAMHDLGAUDTH-XMMPIXPASA-N 1 3 416.569 3.891 20 0 HHADHO c1cnn(-c2ccc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cc2)c1 ZINC000550262863 1009814623 /nfs/dbraw/zinc/81/46/23/1009814623.db2.gz APRAMHDLGAUDTH-XMMPIXPASA-N 1 3 416.569 3.891 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)c(C)c2)CC1 ZINC000520782620 1009850651 /nfs/dbraw/zinc/85/06/51/1009850651.db2.gz YFKAOOPCUFCITG-WOJBJXKFSA-N 1 3 401.599 3.521 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)N(C)C)cc1 ZINC000520877236 1009931314 /nfs/dbraw/zinc/93/13/14/1009931314.db2.gz RFMCLUMTICSSOL-XMMPIXPASA-N 1 3 408.590 3.870 20 0 HHADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000544357583 1009983583 /nfs/dbraw/zinc/98/35/83/1009983583.db2.gz TXXPDAJCRILJQO-AREMUKBSSA-N 1 3 423.601 3.633 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547505270 1010331421 /nfs/dbraw/zinc/33/14/21/1010331421.db2.gz LNMLWCNHTLXHQR-GECPAALWSA-N 1 3 408.590 3.695 20 0 HHADHO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547828485 1010441518 /nfs/dbraw/zinc/44/15/18/1010441518.db2.gz LKSHPDJWVHURAI-QUURXOELSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521584496 1010481604 /nfs/dbraw/zinc/48/16/04/1010481604.db2.gz NZIWWLOLSQRAGY-UCFCWBNQSA-N 1 3 409.549 3.989 20 0 HHADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000521584496 1010481614 /nfs/dbraw/zinc/48/16/14/1010481614.db2.gz NZIWWLOLSQRAGY-UCFCWBNQSA-N 1 3 409.549 3.989 20 0 HHADHO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000522177806 1010849428 /nfs/dbraw/zinc/84/94/28/1010849428.db2.gz CVPPYNKIVSNPGT-UHFFFAOYSA-N 1 3 422.617 3.989 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000522294051 1010911243 /nfs/dbraw/zinc/91/12/43/1010911243.db2.gz UGZNKMXSHICWPO-QHCPKHFHSA-N 1 3 400.611 3.805 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000522294051 1010911248 /nfs/dbraw/zinc/91/12/48/1010911248.db2.gz UGZNKMXSHICWPO-QHCPKHFHSA-N 1 3 400.611 3.805 20 0 HHADHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000536231951 1011381051 /nfs/dbraw/zinc/38/10/51/1011381051.db2.gz IWUBAAPWKCYTJR-BJKOFHAPSA-N 1 3 406.574 3.738 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000536302999 1011493063 /nfs/dbraw/zinc/49/30/63/1011493063.db2.gz RLOGSXJCOZCSIF-ACJLOTCBSA-N 1 3 400.792 3.705 20 0 HHADHO CCCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523134273 1011603864 /nfs/dbraw/zinc/60/38/64/1011603864.db2.gz WQUXBZLCXLTWNG-GGAORHGYSA-N 1 3 400.611 3.805 20 0 HHADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000541091066 1011735745 /nfs/dbraw/zinc/73/57/45/1011735745.db2.gz XYTZHUDTOJINNJ-UHFFFAOYSA-N 1 3 421.589 3.973 20 0 HHADHO CC[NH+](CC)CCO[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000536697147 1011865540 /nfs/dbraw/zinc/86/55/40/1011865540.db2.gz LNAYNHNVSUHQJA-IBGZPJMESA-N 1 3 409.368 3.658 20 0 HHADHO C[C@@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854010 1012085852 /nfs/dbraw/zinc/08/58/52/1012085852.db2.gz XDWKAZNOZGHAKF-AEFFLSMTSA-N 1 3 401.938 3.737 20 0 HHADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536855717 1012088203 /nfs/dbraw/zinc/08/82/03/1012088203.db2.gz CBYFVRBJZJXBOH-GBESFXJTSA-N 1 3 410.002 3.556 20 0 HHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536859287 1012092781 /nfs/dbraw/zinc/09/27/81/1012092781.db2.gz SZTUQVQVXKHWQN-YESZJQIVSA-N 1 3 411.974 3.545 20 0 HHADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000552404013 1012416961 /nfs/dbraw/zinc/41/69/61/1012416961.db2.gz QJINHKZPIJWZHU-NRFANRHFSA-N 1 3 407.549 3.724 20 0 HHADHO COC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000537102479 1012467955 /nfs/dbraw/zinc/46/79/55/1012467955.db2.gz DRVJICNDVNMJME-HSZRJFAPSA-N 1 3 403.517 3.844 20 0 HHADHO COC[C@@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000537102479 1012467962 /nfs/dbraw/zinc/46/79/62/1012467962.db2.gz DRVJICNDVNMJME-HSZRJFAPSA-N 1 3 403.517 3.844 20 0 HHADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000541745289 1012603101 /nfs/dbraw/zinc/60/31/01/1012603101.db2.gz YNKREKLRMWCZKL-PKTZIBPZSA-N 1 3 400.588 3.931 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCc1ccc3c(c1)OCCO3)c1ccccc1O2 ZINC000537192280 1012605396 /nfs/dbraw/zinc/60/53/96/1012605396.db2.gz XOQBQPRIFKYXHU-NRFANRHFSA-N 1 3 408.542 3.968 20 0 HHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3OCc3ccccn3)CC2)CC1 ZINC000541759469 1012620478 /nfs/dbraw/zinc/62/04/78/1012620478.db2.gz KOTPLRHGYLXJLP-UHFFFAOYSA-N 1 3 408.590 3.510 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000553009598 1012982376 /nfs/dbraw/zinc/98/23/76/1012982376.db2.gz QGKRRJNGMWVEQP-UHFFFAOYSA-N 1 3 422.013 3.764 20 0 HHADHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266285 1071830397 /nfs/dbraw/zinc/83/03/97/1071830397.db2.gz DICARIGBNRFAEE-BJKOFHAPSA-N 1 3 421.585 3.561 20 0 HHADHO COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC1)C2 ZINC001168272047 1072058556 /nfs/dbraw/zinc/05/85/56/1072058556.db2.gz KBHSHFOUPLSSLC-BJKOFHAPSA-N 1 3 406.570 3.918 20 0 HHADHO Brc1ccc2nc(C3CC[NH+](C4CCN(CC5CC5)CC4)CC3)nn2c1 ZINC001168377305 1072496411 /nfs/dbraw/zinc/49/64/11/1072496411.db2.gz BWLBKGDSPPFRKM-UHFFFAOYSA-N 1 3 418.383 3.546 20 0 HHADHO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000571408828 1072614338 /nfs/dbraw/zinc/61/43/38/1072614338.db2.gz CIANZLMEOPONDV-KDURUIRLSA-N 1 3 413.562 3.740 20 0 HHADHO Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000571574767 1072661337 /nfs/dbraw/zinc/66/13/37/1072661337.db2.gz CIQJEUIEXKDYKC-QPTUXGOLSA-N 1 3 407.606 3.967 20 0 HHADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417713 1073452165 /nfs/dbraw/zinc/45/21/65/1073452165.db2.gz ISYVVWINPRWYRT-WMZHIEFXSA-N 1 3 419.585 3.558 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000555417713 1073452166 /nfs/dbraw/zinc/45/21/66/1073452166.db2.gz ISYVVWINPRWYRT-WMZHIEFXSA-N 1 3 419.585 3.558 20 0 HHADHO CN1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591571102 1074416859 /nfs/dbraw/zinc/41/68/59/1074416859.db2.gz BTVQGIYAEBOZQQ-MRXNPFEDSA-N 1 3 401.382 3.551 20 0 HHADHO CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000574470517 1075250835 /nfs/dbraw/zinc/25/08/35/1075250835.db2.gz RWCBJLKCQRWNOJ-ZWKOTPCHSA-N 1 3 404.576 3.832 20 0 HHADHO CN(Cc1ccc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc1)C1CC1 ZINC001164646395 719297372 /nfs/dbraw/zinc/29/73/72/719297372.db2.gz BEERFEIBVOXOEW-ISKFKSNPSA-N 1 3 410.537 3.864 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839184 720666693 /nfs/dbraw/zinc/66/66/93/720666693.db2.gz JDBVKPSKUWWMDA-JOCHJYFZSA-N 1 3 421.589 3.645 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839184 720666697 /nfs/dbraw/zinc/66/66/97/720666697.db2.gz JDBVKPSKUWWMDA-JOCHJYFZSA-N 1 3 421.589 3.645 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000301532985 970969479 /nfs/dbraw/zinc/96/94/79/970969479.db2.gz ICLSWYBDEUVPAT-INIZCTEOSA-N 1 3 404.352 3.773 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3coc(-c4ccc(C)cc4)n3)CC2)CC1 ZINC000553085365 1013054752 /nfs/dbraw/zinc/05/47/52/1013054752.db2.gz UJSHOYXICWSVJX-UHFFFAOYSA-N 1 3 424.589 3.505 20 0 HHADHO Cc1ccc2nccc(N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2c1 ZINC000302171370 971194678 /nfs/dbraw/zinc/19/46/78/971194678.db2.gz UUPBFENUABCAEA-NRFANRHFSA-N 1 3 401.558 3.977 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303004810 971448236 /nfs/dbraw/zinc/44/82/36/971448236.db2.gz PACNOAWVSDCBES-OAQYLSRUSA-N 1 3 415.528 3.767 20 0 HHADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303004810 971448242 /nfs/dbraw/zinc/44/82/42/971448242.db2.gz PACNOAWVSDCBES-OAQYLSRUSA-N 1 3 415.528 3.767 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000303189551 971551201 /nfs/dbraw/zinc/55/12/01/971551201.db2.gz ZVZCVMCAGRTEIN-KRWDZBQOSA-N 1 3 422.367 3.683 20 0 HHADHO Cc1nn(-c2ccccc2)cc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537621040 1013165646 /nfs/dbraw/zinc/16/56/46/1013165646.db2.gz RRDLDRLLUXUKJP-UHFFFAOYSA-N 1 3 409.622 3.809 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000537622599 1013171173 /nfs/dbraw/zinc/17/11/73/1013171173.db2.gz DKUBGQPSPXSMNS-DEOSSOPVSA-N 1 3 415.622 3.769 20 0 HHADHO CCC(CC)[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+](C)C ZINC000303923059 972499169 /nfs/dbraw/zinc/49/91/69/972499169.db2.gz YTWGSLCLWIKJJW-NRFANRHFSA-N 1 3 406.640 3.766 20 0 HHADHO CC1CC[NH+](CCc2cccc(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)CC1 ZINC000537671237 1013232157 /nfs/dbraw/zinc/23/21/57/1013232157.db2.gz TYBOYZBFBBMPDC-QHCPKHFHSA-N 1 3 416.610 3.536 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000537812351 1013375745 /nfs/dbraw/zinc/37/57/45/1013375745.db2.gz SBZZIXGMPJRYAH-HSZRJFAPSA-N 1 3 421.589 3.604 20 0 HHADHO CCOc1ccc(Cl)cc1CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553535036 1013432339 /nfs/dbraw/zinc/43/23/39/1013432339.db2.gz UKADTNAEKBUHNA-UHFFFAOYSA-N 1 3 422.013 3.594 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3c(F)cccc3F)C3CC3)CC2)CC1 ZINC000553557811 1013454738 /nfs/dbraw/zinc/45/47/38/1013454738.db2.gz AYPVUNVYXVIJNW-UHFFFAOYSA-N 1 3 405.533 3.652 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000050802390 964401594 /nfs/dbraw/zinc/40/15/94/964401594.db2.gz YHDXGHMLWDAAFS-UHFFFAOYSA-N 1 3 405.586 3.883 20 0 HHADHO Cc1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)sc1-c1ccccc1 ZINC000051235911 964502871 /nfs/dbraw/zinc/50/28/71/964502871.db2.gz ZSFYRAITRIRHDJ-UHFFFAOYSA-N 1 3 413.591 3.799 20 0 HHADHO CN(Cc1csc2ccccc12)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759976 964689902 /nfs/dbraw/zinc/68/99/02/964689902.db2.gz CPSNKLBYNPPBCQ-UHFFFAOYSA-N 1 3 400.592 3.601 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000537959487 1013539751 /nfs/dbraw/zinc/53/97/51/1013539751.db2.gz JKRSZNAOITZXKV-CWFSZBLJSA-N 1 3 400.592 3.932 20 0 HHADHO CCOc1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1OC(F)F ZINC000542689470 1013608975 /nfs/dbraw/zinc/60/89/75/1013608975.db2.gz FXLUJOUVAHYCCL-UHFFFAOYSA-N 1 3 411.537 3.536 20 0 HHADHO O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031959230 966163055 /nfs/dbraw/zinc/16/30/55/966163055.db2.gz IXVUFJRTRPRAJR-UHFFFAOYSA-N 1 3 401.620 3.764 20 0 HHADHO C[C@@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000538058377 1013635097 /nfs/dbraw/zinc/63/50/97/1013635097.db2.gz AIDKONYGMWQVMI-GUDVDZBRSA-N 1 3 415.603 3.663 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000056813362 966477167 /nfs/dbraw/zinc/47/71/67/966477167.db2.gz UGFTZRSSPZRSNK-UHFFFAOYSA-N 1 3 412.578 3.847 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000061530464 966491854 /nfs/dbraw/zinc/49/18/54/966491854.db2.gz GMWNEIBWAZNPGH-DEOSSOPVSA-N 1 3 408.590 3.992 20 0 HHADHO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253003 966632279 /nfs/dbraw/zinc/63/22/79/966632279.db2.gz VYDHIETWLMNESR-ROUUACIJSA-N 1 3 404.986 3.872 20 0 HHADHO COC(=O)COc1c(C)cc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000063915072 966997071 /nfs/dbraw/zinc/99/70/71/966997071.db2.gz XTRJLXQTXBDREW-UHFFFAOYSA-N 1 3 410.558 3.918 20 0 HHADHO CC[C@@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000538141425 1013702953 /nfs/dbraw/zinc/70/29/53/1013702953.db2.gz MITCBTRRNSJXOT-YADARESESA-N 1 3 409.574 3.905 20 0 HHADHO C[C@@H](NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccn1C ZINC000538205712 1013759925 /nfs/dbraw/zinc/75/99/25/1013759925.db2.gz ZSPYRYOTVRYYDR-QGZVFWFLSA-N 1 3 409.500 3.692 20 0 HHADHO CCS(=O)(=O)C[C@H](C)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000538208807 1013762679 /nfs/dbraw/zinc/76/26/79/1013762679.db2.gz VUBAJPZVURZGDZ-IBGZPJMESA-N 1 3 400.588 3.862 20 0 HHADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000065827095 968665438 /nfs/dbraw/zinc/66/54/38/968665438.db2.gz YOOYEFRLTBHZLZ-REWPJTCUSA-N 1 3 409.574 3.973 20 0 HHADHO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000538278388 1013817011 /nfs/dbraw/zinc/81/70/11/1013817011.db2.gz VXOLWIZIVVEACS-OAQYLSRUSA-N 1 3 420.601 3.850 20 0 HHADHO CCCOc1ccc(Cl)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000216003828 970060360 /nfs/dbraw/zinc/06/03/60/970060360.db2.gz VFZFOAXZLGVSJR-UHFFFAOYSA-N 1 3 408.974 3.809 20 0 HHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000236698758 970157591 /nfs/dbraw/zinc/15/75/91/970157591.db2.gz LREOEYPHIWKKDE-UHFFFAOYSA-N 1 3 416.363 3.565 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cc(F)cc3c2OCOC3)CC1 ZINC000236813516 970175737 /nfs/dbraw/zinc/17/57/37/970175737.db2.gz PLJUKHXLQOKECR-UHFFFAOYSA-N 1 3 413.537 3.557 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236839608 970178438 /nfs/dbraw/zinc/17/84/38/970178438.db2.gz GEPDKPDKQPWVKT-NRFANRHFSA-N 1 3 409.622 3.588 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000236849115 970179757 /nfs/dbraw/zinc/17/97/57/970179757.db2.gz LGQJSOJWJRAMAW-NRFANRHFSA-N 1 3 403.574 3.655 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2C)CC1 ZINC000236849902 970180600 /nfs/dbraw/zinc/18/06/00/970180600.db2.gz KVTOMKNSIVLLCK-JOCHJYFZSA-N 1 3 417.601 3.963 20 0 HHADHO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)N2CCCC2)c1 ZINC000554462050 1013958141 /nfs/dbraw/zinc/95/81/41/1013958141.db2.gz MJKAMNJBUDZHAT-YGOYIFOWSA-N 1 3 424.589 3.823 20 0 HHADHO CN(c1ccccc1CNCc1ccc(N2CCCC2=O)cc1)C1CC[NH+](C)CC1 ZINC000237068257 970217206 /nfs/dbraw/zinc/21/72/06/970217206.db2.gz MJAGDJRTZRPZOL-UHFFFAOYSA-N 1 3 406.574 3.634 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000237403100 970278341 /nfs/dbraw/zinc/27/83/41/970278341.db2.gz NYZFPTUFOOFGNT-OPYAIIAOSA-N 1 3 410.986 3.877 20 0 HHADHO CC(=O)c1ccc(OC[C@@H](O)CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000554546125 1013975091 /nfs/dbraw/zinc/97/50/91/1013975091.db2.gz YRBFLBZUBRPSKR-DEOSSOPVSA-N 1 3 410.558 3.651 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000237609805 970322340 /nfs/dbraw/zinc/32/23/40/970322340.db2.gz DZQOYDMHMVTMKY-CALCHBBNSA-N 1 3 410.484 3.870 20 0 HHADHO Cc1nn(C)c(C)c1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237704702 970344381 /nfs/dbraw/zinc/34/43/81/970344381.db2.gz BDTVHYTZBZTKLC-UHFFFAOYSA-N 1 3 423.527 3.748 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000398164274 972878069 /nfs/dbraw/zinc/87/80/69/972878069.db2.gz SRXLERZEWMWTEX-CZAAIQMYSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc(Br)c1 ZINC000398164274 972878077 /nfs/dbraw/zinc/87/80/77/972878077.db2.gz SRXLERZEWMWTEX-CZAAIQMYSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351752 973941580 /nfs/dbraw/zinc/94/15/80/973941580.db2.gz HHSKISXUUMTAAA-SQJMNOBHSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351752 973941592 /nfs/dbraw/zinc/94/15/92/973941592.db2.gz HHSKISXUUMTAAA-SQJMNOBHSA-N 1 3 420.601 3.992 20 0 HHADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000426671416 974592745 /nfs/dbraw/zinc/59/27/45/974592745.db2.gz WDICPXSSTPCMAC-UHFFFAOYSA-N 1 3 407.558 3.882 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000426774689 974650756 /nfs/dbraw/zinc/65/07/56/974650756.db2.gz PNXJRKMMIWHWBL-HDICACEKSA-N 1 3 407.986 3.880 20 0 HHADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426775678 974651878 /nfs/dbraw/zinc/65/18/78/974651878.db2.gz UERWOPULXFNWHJ-CALCHBBNSA-N 1 3 422.411 3.745 20 0 HHADHO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427674024 975234030 /nfs/dbraw/zinc/23/40/30/975234030.db2.gz YRNVGJIQGBTYQN-XPNTWCBSSA-N 1 3 418.622 3.761 20 0 HHADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846670 975319176 /nfs/dbraw/zinc/31/91/76/975319176.db2.gz ANKNMWLWKUMMON-ICSRJNTNSA-N 1 3 405.464 3.834 20 0 HHADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427846670 975319180 /nfs/dbraw/zinc/31/91/80/975319180.db2.gz ANKNMWLWKUMMON-ICSRJNTNSA-N 1 3 405.464 3.834 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000431704399 978447680 /nfs/dbraw/zinc/44/76/80/978447680.db2.gz XARQFAFRHQMCQO-WIOPSUGQSA-N 1 3 420.601 3.957 20 0 HHADHO C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431704399 978447684 /nfs/dbraw/zinc/44/76/84/978447684.db2.gz XARQFAFRHQMCQO-WIOPSUGQSA-N 1 3 420.601 3.957 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000431789255 978514238 /nfs/dbraw/zinc/51/42/38/978514238.db2.gz AKPRNWGHGMAWBV-XMMPIXPASA-N 1 3 410.606 3.797 20 0 HHADHO Cc1cc(Br)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1OC(F)F ZINC000432359704 978776836 /nfs/dbraw/zinc/77/68/36/978776836.db2.gz UDUOEEMSELWTJY-AWEZNQCLSA-N 1 3 421.326 3.949 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000432835934 978987957 /nfs/dbraw/zinc/98/79/57/978987957.db2.gz KFXTUMYQCFGJES-SQJMNOBHSA-N 1 3 405.586 3.954 20 0 HHADHO Cc1ccccc1CN(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433078677 979061657 /nfs/dbraw/zinc/06/16/57/979061657.db2.gz WIOBWONWGQBLMI-UHFFFAOYSA-N 1 3 405.586 3.942 20 0 HHADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433117826 979081146 /nfs/dbraw/zinc/08/11/46/979081146.db2.gz VKHKHUSEKJVBIM-FQEVSTJZSA-N 1 3 409.549 3.819 20 0 HHADHO Cc1ccc(C2(CNC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCC2)cc1C ZINC000434132698 979889395 /nfs/dbraw/zinc/88/93/95/979889395.db2.gz ARWPACCQLSOTSW-UHFFFAOYSA-N 1 3 412.622 3.583 20 0 HHADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000434349372 980109075 /nfs/dbraw/zinc/10/90/75/980109075.db2.gz HNBIFADNBQKKRS-HSZRJFAPSA-N 1 3 410.606 3.701 20 0 HHADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434349372 980109079 /nfs/dbraw/zinc/10/90/79/980109079.db2.gz HNBIFADNBQKKRS-HSZRJFAPSA-N 1 3 410.606 3.701 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccsc1 ZINC000448218259 981632879 /nfs/dbraw/zinc/63/28/79/981632879.db2.gz UFWQRWWQCNXZIV-DUXKGJEZSA-N 1 3 404.624 3.789 20 0 HHADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccsc1 ZINC000448218259 981632882 /nfs/dbraw/zinc/63/28/82/981632882.db2.gz UFWQRWWQCNXZIV-DUXKGJEZSA-N 1 3 404.624 3.789 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473738 981815851 /nfs/dbraw/zinc/81/58/51/981815851.db2.gz SZEASBLMIRMEOI-GOTSBHOMSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000448473738 981815863 /nfs/dbraw/zinc/81/58/63/981815863.db2.gz SZEASBLMIRMEOI-GOTSBHOMSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@H]([NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000437787953 982356493 /nfs/dbraw/zinc/35/64/93/982356493.db2.gz SHPZVOPZHAKUCY-DENAFPEJSA-N 1 3 409.574 3.836 20 0 HHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438864266 983129771 /nfs/dbraw/zinc/12/97/71/983129771.db2.gz JOCLGXNKGOIQAE-DENIHFKCSA-N 1 3 401.599 3.561 20 0 HHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438864266 983129775 /nfs/dbraw/zinc/12/97/75/983129775.db2.gz JOCLGXNKGOIQAE-DENIHFKCSA-N 1 3 401.599 3.561 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000439197784 983305547 /nfs/dbraw/zinc/30/55/47/983305547.db2.gz JCHPQPOQWPGDHR-HYBUGGRVSA-N 1 3 421.589 3.743 20 0 HHADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCN3CCN(C)C(C)(C)C3)s2)cc1 ZINC000442868765 985252584 /nfs/dbraw/zinc/25/25/84/985252584.db2.gz CVPBJKBTOWWGHS-MRXNPFEDSA-N 1 3 402.608 3.804 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462714189 985660592 /nfs/dbraw/zinc/66/05/92/985660592.db2.gz DGBZWYRWDSMMQC-ZLSIYFNSSA-N 1 3 420.601 3.717 20 0 HHADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462714189 985660599 /nfs/dbraw/zinc/66/05/99/985660599.db2.gz DGBZWYRWDSMMQC-ZLSIYFNSSA-N 1 3 420.601 3.717 20 0 HHADHO C[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000468044543 985703641 /nfs/dbraw/zinc/70/36/41/985703641.db2.gz JHICHVRCRIEISF-OXQOHEQNSA-N 1 3 421.632 3.706 20 0 HHADHO COc1ccc([C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)N(C)C)cc1OC ZINC000463128926 986093499 /nfs/dbraw/zinc/09/34/99/986093499.db2.gz AKMJJPYQFZASHF-HSZRJFAPSA-N 1 3 411.590 3.603 20 0 HHADHO COc1ccc([C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1OC ZINC000463128926 986093511 /nfs/dbraw/zinc/09/35/11/986093511.db2.gz AKMJJPYQFZASHF-HSZRJFAPSA-N 1 3 411.590 3.603 20 0 HHADHO CN1CCN(CCC[NH2+]C2CCN(CCc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000463132444 986098331 /nfs/dbraw/zinc/09/83/31/986098331.db2.gz OTZMJUDQSYJQBD-MHZLTWQESA-N 1 3 420.645 3.662 20 0 HHADHO CC(C)CN(CCN(C)C)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000443916619 986118820 /nfs/dbraw/zinc/11/88/20/986118820.db2.gz FKSKZEYFWSIXJZ-UHFFFAOYSA-N 1 3 417.598 3.553 20 0 HHADHO CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468478236 986173639 /nfs/dbraw/zinc/17/36/39/986173639.db2.gz JUGQMMYOPJLPHD-FQEVSTJZSA-N 1 3 401.595 3.771 20 0 HHADHO CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463282383 986248837 /nfs/dbraw/zinc/24/88/37/986248837.db2.gz XUSNSFYPEDIMSJ-VXKWHMMOSA-N 1 3 400.542 3.559 20 0 HHADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000444543192 986732782 /nfs/dbraw/zinc/73/27/82/986732782.db2.gz JAQLUAMJFSKCBY-DEOSSOPVSA-N 1 3 421.585 3.742 20 0 HHADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000444543192 986732791 /nfs/dbraw/zinc/73/27/91/986732791.db2.gz JAQLUAMJFSKCBY-DEOSSOPVSA-N 1 3 421.585 3.742 20 0 HHADHO O=C(CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596573 986783920 /nfs/dbraw/zinc/78/39/20/986783920.db2.gz LNTJLTNERYZJRI-MHZLTWQESA-N 1 3 417.597 3.950 20 0 HHADHO O=C(CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCc2ccccc2C1 ZINC000444596573 986783935 /nfs/dbraw/zinc/78/39/35/986783935.db2.gz LNTJLTNERYZJRI-MHZLTWQESA-N 1 3 417.597 3.950 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4nc(C5CC5)sc4c3)CC2)CC1 ZINC000444832652 986990791 /nfs/dbraw/zinc/99/07/91/986990791.db2.gz COVNKVIVXMVGDS-UHFFFAOYSA-N 1 3 413.591 3.854 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3CCC(F)(F)F)CC2)CC1 ZINC000444855015 987012429 /nfs/dbraw/zinc/01/24/29/987012429.db2.gz FPCJRZNRUFFYPQ-UHFFFAOYSA-N 1 3 412.500 3.862 20 0 HHADHO Cc1cc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000444866513 987022234 /nfs/dbraw/zinc/02/22/34/987022234.db2.gz ACZXBVFUMDPXKY-UHFFFAOYSA-N 1 3 423.399 3.746 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C(F)F)c3Cl)CC2)CC1 ZINC000444935960 987080533 /nfs/dbraw/zinc/08/05/33/987080533.db2.gz IOHSDKWPVDNVOS-UHFFFAOYSA-N 1 3 400.901 3.958 20 0 HHADHO C[C@H]([NH2+]C1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCCC1)c1ccccc1 ZINC000469492075 987172768 /nfs/dbraw/zinc/17/27/68/987172768.db2.gz NNVRZXDOYHQTNV-NRFANRHFSA-N 1 3 413.606 3.801 20 0 HHADHO CCOCc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469761142 987414399 /nfs/dbraw/zinc/41/43/99/987414399.db2.gz RBOVQGBYVYLCSK-SFTDATJTSA-N 1 3 423.601 3.586 20 0 HHADHO CCCOc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000469786828 987432264 /nfs/dbraw/zinc/43/22/64/987432264.db2.gz LOPBORDJXJPTCC-ACWUQQCTSA-N 1 3 423.601 3.838 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469789605 987434657 /nfs/dbraw/zinc/43/46/57/987434657.db2.gz ZDBMTYHEPHUHSG-HUUJSLGLSA-N 1 3 415.578 3.725 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccccc3)c3cccc(F)c3)CC2)CC1 ZINC000445521263 987577290 /nfs/dbraw/zinc/57/72/90/987577290.db2.gz WPHYAVMSDWYDOQ-DEOSSOPVSA-N 1 3 424.564 3.773 20 0 HHADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000470284903 988241688 /nfs/dbraw/zinc/24/16/88/988241688.db2.gz SAPSYLFZKAKGFM-HSZRJFAPSA-N 1 3 400.611 3.803 20 0 HHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470675103 988699811 /nfs/dbraw/zinc/69/98/11/988699811.db2.gz PJKYGKIQRGXXRS-DEOSSOPVSA-N 1 3 400.526 3.984 20 0 HHADHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470675103 988699816 /nfs/dbraw/zinc/69/98/16/988699816.db2.gz PJKYGKIQRGXXRS-DEOSSOPVSA-N 1 3 400.526 3.984 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000470744484 988783561 /nfs/dbraw/zinc/78/35/61/988783561.db2.gz GYMNJHQBNLPOKB-MQSCRBSSSA-N 1 3 400.611 3.660 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753554 988795537 /nfs/dbraw/zinc/79/55/37/988795537.db2.gz FHYVVMZHKKIDFX-RTWAWAEBSA-N 1 3 418.651 3.894 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2cccs2)CC1 ZINC000470753554 988795542 /nfs/dbraw/zinc/79/55/42/988795542.db2.gz FHYVVMZHKKIDFX-RTWAWAEBSA-N 1 3 418.651 3.894 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459413 989800033 /nfs/dbraw/zinc/80/00/33/989800033.db2.gz UKHKTGQGEMODAN-ZVDOUQERSA-N 1 3 400.592 3.733 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000465459413 989800049 /nfs/dbraw/zinc/80/00/49/989800049.db2.gz UKHKTGQGEMODAN-ZVDOUQERSA-N 1 3 400.592 3.733 20 0 HHADHO C[N@H+](CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471611227 989815346 /nfs/dbraw/zinc/81/53/46/989815346.db2.gz PMUWDRSALKMEKI-UHFFFAOYSA-N 1 3 418.548 3.746 20 0 HHADHO C[N@@H+](CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000471611227 989815351 /nfs/dbraw/zinc/81/53/51/989815351.db2.gz PMUWDRSALKMEKI-UHFFFAOYSA-N 1 3 418.548 3.746 20 0 HHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471858752 990031218 /nfs/dbraw/zinc/03/12/18/990031218.db2.gz SUOUIAPNPQFBBY-JLAWEPINSA-N 1 3 418.548 3.746 20 0 HHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471858752 990031223 /nfs/dbraw/zinc/03/12/23/990031223.db2.gz SUOUIAPNPQFBBY-JLAWEPINSA-N 1 3 418.548 3.746 20 0 HHADHO CN(CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747441 990132682 /nfs/dbraw/zinc/13/26/82/990132682.db2.gz FOPKXCHERTVZLH-TZIWHRDSSA-N 1 3 400.592 3.562 20 0 HHADHO CN(CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000465747441 990132690 /nfs/dbraw/zinc/13/26/90/990132690.db2.gz FOPKXCHERTVZLH-TZIWHRDSSA-N 1 3 400.592 3.562 20 0 HHADHO Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804564 990187018 /nfs/dbraw/zinc/18/70/18/990187018.db2.gz DDUZNKKJNZMZIF-DNQXCXABSA-N 1 3 412.622 3.831 20 0 HHADHO Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804565 990187108 /nfs/dbraw/zinc/18/71/08/990187108.db2.gz DDUZNKKJNZMZIF-RPWUZVMVSA-N 1 3 412.622 3.831 20 0 HHADHO C[C@@H]1C[C@@H]1[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465819691 990202652 /nfs/dbraw/zinc/20/26/52/990202652.db2.gz WARPVXHSEHAGAQ-URZJWIJPSA-N 1 3 419.013 3.895 20 0 HHADHO C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872567 990986596 /nfs/dbraw/zinc/98/65/96/990986596.db2.gz IJXIFDAXZCJOJU-QPPBQGQZSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000465872567 990986606 /nfs/dbraw/zinc/98/66/06/990986606.db2.gz IJXIFDAXZCJOJU-QPPBQGQZSA-N 1 3 408.590 3.670 20 0 HHADHO C[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000467387945 992702147 /nfs/dbraw/zinc/70/21/47/992702147.db2.gz FDIZKNCPIUTZNT-GOSISDBHSA-N 1 3 417.981 3.968 20 0 HHADHO CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472291957 993307227 /nfs/dbraw/zinc/30/72/27/993307227.db2.gz ALZQSSXIVSPJRX-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472291957 993307238 /nfs/dbraw/zinc/30/72/38/993307238.db2.gz ALZQSSXIVSPJRX-LOSJGSFVSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472366136 993363256 /nfs/dbraw/zinc/36/32/56/993363256.db2.gz HTRCBRLAFLGSRB-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472366136 993363260 /nfs/dbraw/zinc/36/32/60/993363260.db2.gz HTRCBRLAFLGSRB-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189285 994021098 /nfs/dbraw/zinc/02/10/98/994021098.db2.gz MAXVRWZFSWIUGJ-OXJNMPFZSA-N 1 3 403.473 3.727 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000481299226 994114376 /nfs/dbraw/zinc/11/43/76/994114376.db2.gz LINAGAGQTVSMPK-GOSISDBHSA-N 1 3 401.576 3.682 20 0 HHADHO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000481303007 994118716 /nfs/dbraw/zinc/11/87/16/994118716.db2.gz AWZMAXIPUFRTRQ-NRFANRHFSA-N 1 3 408.590 3.894 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000481321911 994141216 /nfs/dbraw/zinc/14/12/16/994141216.db2.gz YOQXJXQYJVHTLQ-KCWXNJEJSA-N 1 3 413.631 3.673 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000473516642 994370809 /nfs/dbraw/zinc/37/08/09/994370809.db2.gz CYIFGGWNTRGRIK-KMFTYDHNSA-N 1 3 423.523 3.820 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000473516642 994370819 /nfs/dbraw/zinc/37/08/19/994370819.db2.gz CYIFGGWNTRGRIK-KMFTYDHNSA-N 1 3 423.523 3.820 20 0 HHADHO CC(C)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000481571675 994407440 /nfs/dbraw/zinc/40/74/40/994407440.db2.gz YBDGWHUFVVKUBV-LJQANCHMSA-N 1 3 417.619 3.891 20 0 HHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559978 994424322 /nfs/dbraw/zinc/42/43/22/994424322.db2.gz BTNXRWRLPYGODU-SMIHKQSGSA-N 1 3 421.560 3.628 20 0 HHADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473559978 994424333 /nfs/dbraw/zinc/42/43/33/994424333.db2.gz BTNXRWRLPYGODU-SMIHKQSGSA-N 1 3 421.560 3.628 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819250 994746559 /nfs/dbraw/zinc/74/65/59/994746559.db2.gz FXAQLOCHLZIFNI-OFNKIYASSA-N 1 3 421.589 3.613 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC000473819250 994746568 /nfs/dbraw/zinc/74/65/68/994746568.db2.gz FXAQLOCHLZIFNI-OFNKIYASSA-N 1 3 421.589 3.613 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)c2)CC1 ZINC000473820914 994749535 /nfs/dbraw/zinc/74/95/35/994749535.db2.gz DKODJJMDSYVDQW-XMMPIXPASA-N 1 3 421.589 3.787 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)c2)CC1 ZINC000473820913 994749681 /nfs/dbraw/zinc/74/96/81/994749681.db2.gz DKODJJMDSYVDQW-DEOSSOPVSA-N 1 3 421.589 3.787 20 0 HHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146936 995098124 /nfs/dbraw/zinc/09/81/24/995098124.db2.gz QGUNKFNVPPUFKR-IAGOWNOFSA-N 1 3 407.605 3.682 20 0 HHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146936 995098132 /nfs/dbraw/zinc/09/81/32/995098132.db2.gz QGUNKFNVPPUFKR-IAGOWNOFSA-N 1 3 407.605 3.682 20 0 HHADHO C[NH+](C)Cc1cccc(CNCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000474347778 995327555 /nfs/dbraw/zinc/32/75/55/995327555.db2.gz LEROEURSAKSTBZ-UHFFFAOYSA-N 1 3 418.379 3.637 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474466225 995428356 /nfs/dbraw/zinc/42/83/56/995428356.db2.gz ZNDBCOQIPUJRNN-CYBMUJFWSA-N 1 3 408.306 3.584 20 0 HHADHO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000474551494 995517532 /nfs/dbraw/zinc/51/75/32/995517532.db2.gz CMRDYZSYYSEYML-LJQANCHMSA-N 1 3 400.611 3.740 20 0 HHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000482544389 995552509 /nfs/dbraw/zinc/55/25/09/995552509.db2.gz RWLSFMVNSHUDMT-QFBILLFUSA-N 1 3 400.592 3.665 20 0 HHADHO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000482545835 995554490 /nfs/dbraw/zinc/55/44/90/995554490.db2.gz ZZSIUXHJRJQHRJ-REWPJTCUSA-N 1 3 409.574 3.812 20 0 HHADHO Cc1c([C@@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000482545992 995554671 /nfs/dbraw/zinc/55/46/71/995554671.db2.gz BMWUGSLDNFYRFJ-QGZVFWFLSA-N 1 3 411.525 3.549 20 0 HHADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000482709809 995698400 /nfs/dbraw/zinc/69/84/00/995698400.db2.gz TVTUSVMANZISNF-NFBKMPQASA-N 1 3 422.573 3.657 20 0 HHADHO CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475012585 995869053 /nfs/dbraw/zinc/86/90/53/995869053.db2.gz IYIILISDXQUODU-DNQXCXABSA-N 1 3 406.574 3.739 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475016359 995872529 /nfs/dbraw/zinc/87/25/29/995872529.db2.gz ONAJHEFQXZQPCJ-XMMPIXPASA-N 1 3 408.590 3.944 20 0 HHADHO CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475130569 995941725 /nfs/dbraw/zinc/94/17/25/995941725.db2.gz QPDSBHJPKBVCEM-BJKOFHAPSA-N 1 3 406.574 3.739 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475139364 995947883 /nfs/dbraw/zinc/94/78/83/995947883.db2.gz XLTVNMACEWAVPL-XMMPIXPASA-N 1 3 408.590 3.943 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475139364 995947888 /nfs/dbraw/zinc/94/78/88/995947888.db2.gz XLTVNMACEWAVPL-XMMPIXPASA-N 1 3 408.590 3.943 20 0 HHADHO CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475177221 995974571 /nfs/dbraw/zinc/97/45/71/995974571.db2.gz YMTDGDNHKNUKMY-QHCPKHFHSA-N 1 3 400.611 3.805 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739466 996359170 /nfs/dbraw/zinc/35/91/70/996359170.db2.gz GOIDKBQYBXNQCP-DJPFJPOOSA-N 1 3 421.632 3.732 20 0 HHADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000483739466 996359175 /nfs/dbraw/zinc/35/91/75/996359175.db2.gz GOIDKBQYBXNQCP-DJPFJPOOSA-N 1 3 421.632 3.732 20 0 HHADHO C[N@H+](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCCC1 ZINC000483894009 996453989 /nfs/dbraw/zinc/45/39/89/996453989.db2.gz GBVVXPRUTWONJJ-UHFFFAOYSA-N 1 3 404.624 3.664 20 0 HHADHO C[N@@H+](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCCC1 ZINC000483894009 996453995 /nfs/dbraw/zinc/45/39/95/996453995.db2.gz GBVVXPRUTWONJJ-UHFFFAOYSA-N 1 3 404.624 3.664 20 0 HHADHO C[NH+]1CCC(O)(CN[C@H](Cc2ccccc2F)c2ccccc2Br)CC1 ZINC000484178812 996619900 /nfs/dbraw/zinc/61/99/00/996619900.db2.gz YCDZGVKZUNSVHY-HXUWFJFHSA-N 1 3 421.354 3.918 20 0 HHADHO CN(CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476714813 997258948 /nfs/dbraw/zinc/25/89/48/997258948.db2.gz TVDSXTSFGMLISQ-CWAQXLGLSA-N 1 3 406.574 3.613 20 0 HHADHO CN(CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000476714813 997258969 /nfs/dbraw/zinc/25/89/69/997258969.db2.gz TVDSXTSFGMLISQ-CWAQXLGLSA-N 1 3 406.574 3.613 20 0 HHADHO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000476722455 997268698 /nfs/dbraw/zinc/26/86/98/997268698.db2.gz AFFJSSYEXLIRFB-GUDVDZBRSA-N 1 3 411.512 3.628 20 0 HHADHO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000476722455 997268712 /nfs/dbraw/zinc/26/87/12/997268712.db2.gz AFFJSSYEXLIRFB-GUDVDZBRSA-N 1 3 411.512 3.628 20 0 HHADHO C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000476906097 997512045 /nfs/dbraw/zinc/51/20/45/997512045.db2.gz MFGDLEMMMPRDEE-HYBUGGRVSA-N 1 3 406.574 3.745 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000476956646 997572616 /nfs/dbraw/zinc/57/26/16/997572616.db2.gz XZROAQOLOLXFBN-UHFFFAOYSA-N 1 3 419.013 3.788 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)Cc1ccccc1 ZINC000477377464 998065060 /nfs/dbraw/zinc/06/50/60/998065060.db2.gz GZZURWNSSVKMJC-FYYLOGMGSA-N 1 3 400.611 3.660 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000477523265 998242986 /nfs/dbraw/zinc/24/29/86/998242986.db2.gz JUYOEAPSNFLXSL-LJQANCHMSA-N 1 3 415.603 3.601 20 0 HHADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000477523265 998242999 /nfs/dbraw/zinc/24/29/99/998242999.db2.gz JUYOEAPSNFLXSL-LJQANCHMSA-N 1 3 415.603 3.601 20 0 HHADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775294 998250127 /nfs/dbraw/zinc/25/01/27/998250127.db2.gz RVLROIHZFMYQIO-VJBWXMMDSA-N 1 3 412.622 3.585 20 0 HHADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CN3CCc4ccccc4C3)C(C)(C)C)CC[C@@H]21 ZINC000485775294 998250137 /nfs/dbraw/zinc/25/01/37/998250137.db2.gz RVLROIHZFMYQIO-VJBWXMMDSA-N 1 3 412.622 3.585 20 0 HHADHO C[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000478807656 999150549 /nfs/dbraw/zinc/15/05/49/999150549.db2.gz RIUSUGJVBNEGPB-GBXCKJPGSA-N 1 3 408.590 3.684 20 0 HHADHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367597 999406177 /nfs/dbraw/zinc/40/61/77/999406177.db2.gz ZXJNQLMGLOHKMC-BBRMVZONSA-N 1 3 409.290 3.965 20 0 HHADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438985 999417819 /nfs/dbraw/zinc/41/78/19/999417819.db2.gz PIHZHTWHBWSRBI-UKILVPOCSA-N 1 3 416.569 3.996 20 0 HHADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479438985 999417822 /nfs/dbraw/zinc/41/78/22/999417822.db2.gz PIHZHTWHBWSRBI-UKILVPOCSA-N 1 3 416.569 3.996 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000479452871 999424239 /nfs/dbraw/zinc/42/42/39/999424239.db2.gz IKOHPKNNYIWQFB-DYXWJJEUSA-N 1 3 415.603 3.512 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000479478537 999434814 /nfs/dbraw/zinc/43/48/14/999434814.db2.gz NKIZRSBLBKBERQ-WQUXRXDGSA-N 1 3 405.549 3.518 20 0 HHADHO Cc1cc(F)ccc1C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000488507828 999512042 /nfs/dbraw/zinc/51/20/42/999512042.db2.gz RRCCWRONKJVSFN-UHFFFAOYSA-N 1 3 416.585 3.582 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000489278576 999735653 /nfs/dbraw/zinc/73/56/53/999735653.db2.gz RSIUXSUAPYAVFP-ZEQRLZLVSA-N 1 3 424.589 3.743 20 0 HHADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480329048 999772513 /nfs/dbraw/zinc/77/25/13/999772513.db2.gz GATGLZLNQACHOM-RHSMWYFYSA-N 1 3 417.413 3.768 20 0 HHADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCCO2 ZINC000489573007 999795043 /nfs/dbraw/zinc/79/50/43/999795043.db2.gz PDKVOUCIEHUVCW-FQEVSTJZSA-N 1 3 400.954 3.799 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)NCc2cccc(C[NH+](C)C)c2)N(C)C)cc1 ZINC000480571226 999829257 /nfs/dbraw/zinc/82/92/57/999829257.db2.gz ZEHMFBOSANEBCN-QHCPKHFHSA-N 1 3 412.578 3.638 20 0 HHADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489802537 999841313 /nfs/dbraw/zinc/84/13/13/999841313.db2.gz CRSBSXHWDRLDQV-RBUKOAKNSA-N 1 3 414.516 3.651 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844101 999848309 /nfs/dbraw/zinc/84/83/09/999848309.db2.gz XMVIAPBHFLZBSQ-GBXCKJPGSA-N 1 3 424.589 3.796 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000489844101 999848310 /nfs/dbraw/zinc/84/83/10/999848310.db2.gz XMVIAPBHFLZBSQ-GBXCKJPGSA-N 1 3 424.589 3.796 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000490124850 999896749 /nfs/dbraw/zinc/89/67/49/999896749.db2.gz LTCVRCXKNVTOEC-QFIPXVFZSA-N 1 3 403.517 3.995 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(-c4ccco4)cc3F)CC2)CC1 ZINC000490522868 999971757 /nfs/dbraw/zinc/97/17/57/999971757.db2.gz CHVSUYBVYILCFL-UHFFFAOYSA-N 1 3 400.498 3.766 20 0 HHADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000490952845 1000026736 /nfs/dbraw/zinc/02/67/36/1000026736.db2.gz SUKYRTAGKQKNSJ-IBGZPJMESA-N 1 3 418.651 3.910 20 0 HHADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000490952845 1000026739 /nfs/dbraw/zinc/02/67/39/1000026739.db2.gz SUKYRTAGKQKNSJ-IBGZPJMESA-N 1 3 418.651 3.910 20 0 HHADHO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1cnnn1Cc1ccccc1 ZINC000491259880 1000059663 /nfs/dbraw/zinc/05/96/63/1000059663.db2.gz RVWHTTRHYFIIIM-UHFFFAOYSA-N 1 3 401.514 3.841 20 0 HHADHO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1cnnn1Cc1ccccc1 ZINC000491259880 1000059665 /nfs/dbraw/zinc/05/96/65/1000059665.db2.gz RVWHTTRHYFIIIM-UHFFFAOYSA-N 1 3 401.514 3.841 20 0 HHADHO CC(=O)N1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2C1 ZINC000492226258 1000116319 /nfs/dbraw/zinc/11/63/19/1000116319.db2.gz VDTZUFWGFAOSKI-VWLOTQADSA-N 1 3 407.558 3.744 20 0 HHADHO Cc1nc2ccc(CNCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2s1 ZINC000494027819 1000274856 /nfs/dbraw/zinc/27/48/56/1000274856.db2.gz OANZOQHBLNPXOJ-UHFFFAOYSA-N 1 3 408.571 3.720 20 0 HHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000504779487 1000366661 /nfs/dbraw/zinc/36/66/61/1000366661.db2.gz RNJQTNDXNKZYPE-UHFFFAOYSA-N 1 3 424.589 3.722 20 0 HHADHO Cc1ccc(C)c(OCC[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1 ZINC000494579787 1000562889 /nfs/dbraw/zinc/56/28/89/1000562889.db2.gz MKFMYLUPXSDSFI-UHFFFAOYSA-N 1 3 423.601 3.642 20 0 HHADHO COc1ccc(CN2CCC(CCC[NH+]3CCOCC3)CC2)cc1Br ZINC000506051182 1001192176 /nfs/dbraw/zinc/19/21/76/1001192176.db2.gz INSAOSDCDLWTGD-UHFFFAOYSA-N 1 3 411.384 3.782 20 0 HHADHO Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000506907750 1001589278 /nfs/dbraw/zinc/58/92/78/1001589278.db2.gz HVUPXBJGKCTMIA-UHFFFAOYSA-N 1 3 410.562 3.556 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934166 1001601645 /nfs/dbraw/zinc/60/16/45/1001601645.db2.gz OIAKFMGUTURZTL-NHCUHLMSSA-N 1 3 422.683 3.644 20 0 HHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000506934166 1001601651 /nfs/dbraw/zinc/60/16/51/1001601651.db2.gz OIAKFMGUTURZTL-NHCUHLMSSA-N 1 3 422.683 3.644 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022097 1001608937 /nfs/dbraw/zinc/60/89/37/1001608937.db2.gz CVAUQBPTLKHQJK-LMNJBCLMSA-N 1 3 418.582 3.872 20 0 HHADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000498022097 1001608938 /nfs/dbraw/zinc/60/89/38/1001608938.db2.gz CVAUQBPTLKHQJK-LMNJBCLMSA-N 1 3 418.582 3.872 20 0 HHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000498460183 1001887652 /nfs/dbraw/zinc/88/76/52/1001887652.db2.gz AWHHCWNZROEJNY-FQEVSTJZSA-N 1 3 413.537 3.754 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000498898947 1002289611 /nfs/dbraw/zinc/28/96/11/1002289611.db2.gz UCTVBKURGSOSKR-YFXJRYMSSA-N 1 3 412.553 3.781 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000498898947 1002289616 /nfs/dbraw/zinc/28/96/16/1002289616.db2.gz UCTVBKURGSOSKR-YFXJRYMSSA-N 1 3 412.553 3.781 20 0 HHADHO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499194225 1002583207 /nfs/dbraw/zinc/58/32/07/1002583207.db2.gz QWTHEFDTCCTOFY-HWHRFOGPSA-N 1 3 402.542 3.570 20 0 HHADHO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508698067 1003136033 /nfs/dbraw/zinc/13/60/33/1003136033.db2.gz NLTDMMLIAZHKGC-NGYIFUPDSA-N 1 3 407.558 3.804 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000508908400 1003348039 /nfs/dbraw/zinc/34/80/39/1003348039.db2.gz SIEJLVVCMLKVQS-QZNHQXDQSA-N 1 3 400.611 3.975 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000500143033 1003501946 /nfs/dbraw/zinc/50/19/46/1003501946.db2.gz XAKNWLGXXLQMIV-XMMPIXPASA-N 1 3 406.574 3.746 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000509370250 1003798239 /nfs/dbraw/zinc/79/82/39/1003798239.db2.gz FUXZFOZWUKEUDT-UNMCSNQZSA-N 1 3 422.598 3.593 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000509370250 1003798246 /nfs/dbraw/zinc/79/82/46/1003798246.db2.gz FUXZFOZWUKEUDT-UNMCSNQZSA-N 1 3 422.598 3.593 20 0 HHADHO Cn1cc(-c2ccc(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)s2)cn1 ZINC000509537744 1003931746 /nfs/dbraw/zinc/93/17/46/1003931746.db2.gz HFTURYHWDMSOFX-UHFFFAOYSA-N 1 3 423.630 3.836 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000509604391 1003974285 /nfs/dbraw/zinc/97/42/85/1003974285.db2.gz SWZMASLESVOBLA-GHTZIAJQSA-N 1 3 413.566 3.662 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000500979519 1004091978 /nfs/dbraw/zinc/09/19/78/1004091978.db2.gz QCQUTPNAQMFGNM-UHFFFAOYSA-N 1 3 413.437 3.922 20 0 HHADHO CC(C)N1CCN(CCC[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000500979519 1004091987 /nfs/dbraw/zinc/09/19/87/1004091987.db2.gz QCQUTPNAQMFGNM-UHFFFAOYSA-N 1 3 413.437 3.922 20 0 HHADHO CN(CC(=O)N(C)Cc1ccc(Cl)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046594 1004148358 /nfs/dbraw/zinc/14/83/58/1004148358.db2.gz QJZWZHLDLGQUMI-UHFFFAOYSA-N 1 3 406.983 3.603 20 0 HHADHO COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501060650 1004162399 /nfs/dbraw/zinc/16/23/99/1004162399.db2.gz BPZQAZDKOPNZMC-INIZCTEOSA-N 1 3 416.953 3.919 20 0 HHADHO CC(C)c1ccc(OCCNC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501069302 1004171577 /nfs/dbraw/zinc/17/15/77/1004171577.db2.gz OLHGGLKKPZINMR-UHFFFAOYSA-N 1 3 424.589 3.548 20 0 HHADHO O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279229 1004180002 /nfs/dbraw/zinc/18/00/02/1004180002.db2.gz RVVYATSJDVNUNV-REWPJTCUSA-N 1 3 400.950 3.678 20 0 HHADHO O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512279229 1004180007 /nfs/dbraw/zinc/18/00/07/1004180007.db2.gz RVVYATSJDVNUNV-REWPJTCUSA-N 1 3 400.950 3.678 20 0 HHADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090535 1004196603 /nfs/dbraw/zinc/19/66/03/1004196603.db2.gz SNASVSAHGASCBH-MRXNPFEDSA-N 1 3 418.488 3.858 20 0 HHADHO CC[C@H](CNC(=O)N1CCC(C[NH+](CC)CC)CC1)N1CCc2ccccc2C1 ZINC000501348259 1004360251 /nfs/dbraw/zinc/36/02/51/1004360251.db2.gz CWQUBXRSENCUOZ-HSZRJFAPSA-N 1 3 400.611 3.587 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501375355 1004375464 /nfs/dbraw/zinc/37/54/64/1004375464.db2.gz ALOJFCKPBFXUPO-NFBKMPQASA-N 1 3 400.611 3.635 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000501375355 1004375473 /nfs/dbraw/zinc/37/54/73/1004375473.db2.gz ALOJFCKPBFXUPO-NFBKMPQASA-N 1 3 400.611 3.635 20 0 HHADHO COCCCOc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000512581351 1004398735 /nfs/dbraw/zinc/39/87/35/1004398735.db2.gz HKPJMEIJUODCDC-UHFFFAOYSA-N 1 3 417.981 3.797 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710943 1004509857 /nfs/dbraw/zinc/50/98/57/1004509857.db2.gz CLEZMDAWXODRKZ-IRLDBZIGSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710943 1004509864 /nfs/dbraw/zinc/50/98/64/1004509864.db2.gz CLEZMDAWXODRKZ-IRLDBZIGSA-N 1 3 412.622 3.945 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C2CCCC2)N(C)C)cc1 ZINC000512820095 1004579221 /nfs/dbraw/zinc/57/92/21/1004579221.db2.gz JGQVIANVPMALKX-QFIPXVFZSA-N 1 3 404.599 3.592 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)N(C)C)cc1 ZINC000512911767 1004681768 /nfs/dbraw/zinc/68/17/68/1004681768.db2.gz JWTWDSAGJHRKIT-JTHBVZDNSA-N 1 3 416.610 3.736 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950807 1004950382 /nfs/dbraw/zinc/95/03/82/1004950382.db2.gz NCUVUSMVGJWQSM-TZIWHRDSSA-N 1 3 401.348 3.793 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510950807 1004950385 /nfs/dbraw/zinc/95/03/85/1004950385.db2.gz NCUVUSMVGJWQSM-TZIWHRDSSA-N 1 3 401.348 3.793 20 0 HHADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000511245355 1005088669 /nfs/dbraw/zinc/08/86/69/1005088669.db2.gz ARARLAONDBQVKB-NRFANRHFSA-N 1 3 410.606 3.867 20 0 HHADHO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000511245355 1005088675 /nfs/dbraw/zinc/08/86/75/1005088675.db2.gz ARARLAONDBQVKB-NRFANRHFSA-N 1 3 410.606 3.867 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511268878 1005100002 /nfs/dbraw/zinc/10/00/02/1005100002.db2.gz NCULMYUMXLEBPA-ICSRJNTNSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511268878 1005100003 /nfs/dbraw/zinc/10/00/03/1005100003.db2.gz NCULMYUMXLEBPA-ICSRJNTNSA-N 1 3 404.574 3.552 20 0 HHADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H](Cc3ccccc3)N(C)C)CC2)CC1 ZINC000502829688 1005236018 /nfs/dbraw/zinc/23/60/18/1005236018.db2.gz NKOBCKYZLJMVJD-XPPIMPSXSA-N 1 3 400.611 3.502 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)N2CCCC2)cc1 ZINC000502831025 1005236483 /nfs/dbraw/zinc/23/64/83/1005236483.db2.gz PRFVACMHTGNCPJ-HSZRJFAPSA-N 1 3 416.610 3.643 20 0 HHADHO C[C@@H]1CN([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c2c(F)cccc2Cl)CCO1 ZINC000514086548 1005259622 /nfs/dbraw/zinc/25/96/22/1005259622.db2.gz BEYQFDZQSZNIMS-DPDIENECSA-N 1 3 409.977 3.703 20 0 HHADHO Cc1nc(COc2ccc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000514235045 1005325681 /nfs/dbraw/zinc/32/56/81/1005325681.db2.gz WIIXHQGNFDWZLI-HSZRJFAPSA-N 1 3 423.582 3.887 20 0 HHADHO Cc1nc(COc2ccc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000514235045 1005325686 /nfs/dbraw/zinc/32/56/86/1005325686.db2.gz WIIXHQGNFDWZLI-HSZRJFAPSA-N 1 3 423.582 3.887 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)N(C)C)cc1 ZINC000503339510 1005393512 /nfs/dbraw/zinc/39/35/12/1005393512.db2.gz FZYRYYPIZFNEMY-JTHBVZDNSA-N 1 3 400.611 3.751 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H](CN3CCCC3)c3ccccc3)C2)CC1 ZINC000503386845 1005404921 /nfs/dbraw/zinc/40/49/21/1005404921.db2.gz FIXGWJOGDXQWKX-UPVQGACJSA-N 1 3 412.622 3.977 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3(N4CCSCC4)CCCC3)C2)CC1 ZINC000503391281 1005406192 /nfs/dbraw/zinc/40/61/92/1005406192.db2.gz OIIHNGLJODSKMM-NRFANRHFSA-N 1 3 422.683 3.502 20 0 HHADHO CN(C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000504277213 1005587999 /nfs/dbraw/zinc/58/79/99/1005587999.db2.gz PQPUFQOJMAWTKL-UHFFFAOYSA-N 1 3 423.605 3.731 20 0 HHADHO CC[NH+]1CCC(N(C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000531143466 1006016475 /nfs/dbraw/zinc/01/64/75/1006016475.db2.gz DJIIEEXPFNEQAO-QHCPKHFHSA-N 1 3 418.528 3.848 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000514635767 1006064075 /nfs/dbraw/zinc/06/40/75/1006064075.db2.gz XZJUKLKOXGUHJL-VWNXMTODSA-N 1 3 416.569 3.532 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000514635767 1006064090 /nfs/dbraw/zinc/06/40/90/1006064090.db2.gz XZJUKLKOXGUHJL-VWNXMTODSA-N 1 3 416.569 3.532 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nc3c(cccc3F)n2C)CC1 ZINC000531785492 1006425802 /nfs/dbraw/zinc/42/58/02/1006425802.db2.gz HSBCBOMZZUGVCY-UHFFFAOYSA-N 1 3 409.553 3.577 20 0 HHADHO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)o1 ZINC000532015463 1006577277 /nfs/dbraw/zinc/57/72/77/1006577277.db2.gz MQYVEEQCXOEZBM-GOTSBHOMSA-N 1 3 420.557 3.908 20 0 HHADHO CC1(C)CN([C@H](C[NH2+]C2CCN(CC3CC3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000532215916 1006727453 /nfs/dbraw/zinc/72/74/53/1006727453.db2.gz BFPQFBHWGVWQPN-JOCHJYFZSA-N 1 3 406.014 3.956 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460346 1006900475 /nfs/dbraw/zinc/90/04/75/1006900475.db2.gz GWEKUCUGDYWRJM-CVJWPJSTSA-N 1 3 423.601 3.711 20 0 HHADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)cc1 ZINC000532460346 1006900490 /nfs/dbraw/zinc/90/04/90/1006900490.db2.gz GWEKUCUGDYWRJM-CVJWPJSTSA-N 1 3 423.601 3.711 20 0 HHADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC1([NH+]2CCCC2)CCOCC1 ZINC000532485020 1006925189 /nfs/dbraw/zinc/92/51/89/1006925189.db2.gz GCAKCXKDDFXETN-INIZCTEOSA-N 1 3 413.484 3.657 20 0 HHADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000516215041 1006951416 /nfs/dbraw/zinc/95/14/16/1006951416.db2.gz CLZKEZYSHDESQQ-UHFFFAOYSA-N 1 3 417.642 3.528 20 0 HHADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000532579041 1007012800 /nfs/dbraw/zinc/01/28/00/1007012800.db2.gz FWTAIZFKAKRJGQ-URXFXBBRSA-N 1 3 405.586 3.720 20 0 HHADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000516581646 1007167194 /nfs/dbraw/zinc/16/71/94/1007167194.db2.gz HNHRFVTWCULQJE-UGKGYDQZSA-N 1 3 412.553 3.734 20 0 HHADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1)CC1CC1 ZINC000538915922 1007200730 /nfs/dbraw/zinc/20/07/30/1007200730.db2.gz BBFPMJOSZGWDCR-HSZRJFAPSA-N 1 3 400.611 3.833 20 0 HHADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1)CC1CC1 ZINC000538915922 1007200742 /nfs/dbraw/zinc/20/07/42/1007200742.db2.gz BBFPMJOSZGWDCR-HSZRJFAPSA-N 1 3 400.611 3.833 20 0 HHADHO C[C@@H](C(=O)N1CCCc2ccccc21)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944951 1007229275 /nfs/dbraw/zinc/22/92/75/1007229275.db2.gz CJDFPJDXDGYVJF-FQEVSTJZSA-N 1 3 406.574 3.988 20 0 HHADHO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945855 1007230396 /nfs/dbraw/zinc/23/03/96/1007230396.db2.gz SOBMSVJMWPDGDE-INIZCTEOSA-N 1 3 402.489 3.925 20 0 HHADHO Cc1cc2ncc([C@H](C)[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)c(C)n2n1 ZINC000538986227 1007281016 /nfs/dbraw/zinc/28/10/16/1007281016.db2.gz PKXNOMOPJHZKBY-NRFANRHFSA-N 1 3 420.605 3.595 20 0 HHADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1Br ZINC000539063776 1007357026 /nfs/dbraw/zinc/35/70/26/1007357026.db2.gz VDGFOCYQJKBFTG-KYNGSXCRSA-N 1 3 411.384 3.876 20 0 HHADHO CN(CCCN(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccco1 ZINC000516988003 1007359556 /nfs/dbraw/zinc/35/95/56/1007359556.db2.gz OPZDUDNQGRBNCB-UHFFFAOYSA-N 1 3 418.607 3.717 20 0 HHADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000539075614 1007367125 /nfs/dbraw/zinc/36/71/25/1007367125.db2.gz JWQZILSUTYWUGK-BZUAXINKSA-N 1 3 401.364 3.998 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(-c2ccccc2)nc1 ZINC000533025560 1007386708 /nfs/dbraw/zinc/38/67/08/1007386708.db2.gz USCNQMTVSHSSDB-UHFFFAOYSA-N 1 3 407.606 3.772 20 0 HHADHO CN1CCN(CCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000517226230 1007511951 /nfs/dbraw/zinc/51/19/51/1007511951.db2.gz HCDMAMQYBHOLKK-TWJOJJKGSA-N 1 3 406.618 3.790 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000533226741 1007549022 /nfs/dbraw/zinc/54/90/22/1007549022.db2.gz VXDNKUKVIBILJJ-NRFANRHFSA-N 1 3 403.636 3.753 20 0 HHADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000539514797 1007825150 /nfs/dbraw/zinc/82/51/50/1007825150.db2.gz DTOSAHRLLQYVMP-UHFFFAOYSA-N 1 3 415.965 3.917 20 0 HHADHO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000533737374 1008063121 /nfs/dbraw/zinc/06/31/21/1008063121.db2.gz SLFATDBKJQLLLE-QGZVFWFLSA-N 1 3 421.655 3.836 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](Cc2ccnc3ccccc23)CC1)Cc1ccccc1 ZINC000539836091 1008128387 /nfs/dbraw/zinc/12/83/87/1008128387.db2.gz REIVPOVXHMGVFU-UHFFFAOYSA-N 1 3 416.569 3.695 20 0 HHADHO C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CCN(C)CC1 ZINC000539886766 1008162508 /nfs/dbraw/zinc/16/25/08/1008162508.db2.gz OCBQCVVSOHCIIJ-HBGVWJBISA-N 1 3 406.412 3.784 20 0 HHADHO C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(Br)cc32)CC[C@H]1N1CCN(C)CC1 ZINC000539886766 1008162513 /nfs/dbraw/zinc/16/25/13/1008162513.db2.gz OCBQCVVSOHCIIJ-HBGVWJBISA-N 1 3 406.412 3.784 20 0 HHADHO C[C@H](C(=O)NCc1ccccc1Cl)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044087 1008253681 /nfs/dbraw/zinc/25/36/81/1008253681.db2.gz PXOBLBURDWLRLL-GOSISDBHSA-N 1 3 414.981 3.978 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCc1ccc(Cl)cc1 ZINC000540046158 1008255936 /nfs/dbraw/zinc/25/59/36/1008255936.db2.gz WHSSRHPJIXSGHA-UHFFFAOYSA-N 1 3 414.981 3.632 20 0 HHADHO C[NH+](C)CCOc1cc(CN[C@H]2CCCc3ccc(Br)cc32)ccn1 ZINC000540143218 1008309785 /nfs/dbraw/zinc/30/97/85/1008309785.db2.gz NPGFAHZCSFEVPE-IBGZPJMESA-N 1 3 404.352 3.952 20 0 HHADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000540160854 1008316718 /nfs/dbraw/zinc/31/67/18/1008316718.db2.gz OXROFDGAQHBERK-RMVZNSSTSA-N 1 3 420.569 3.802 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000518459896 1008316962 /nfs/dbraw/zinc/31/69/62/1008316962.db2.gz JRHLZDNAEMGEPQ-SIKLNZKXSA-N 1 3 416.610 3.642 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)N2CCCC2)cc1 ZINC000518459896 1008316970 /nfs/dbraw/zinc/31/69/70/1008316970.db2.gz JRHLZDNAEMGEPQ-SIKLNZKXSA-N 1 3 416.610 3.642 20 0 HHADHO Cc1ccc2c(c1)[C@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCCO2 ZINC000540172398 1008321538 /nfs/dbraw/zinc/32/15/38/1008321538.db2.gz CFLGLKITISUUDM-HSZRJFAPSA-N 1 3 407.558 3.824 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000540172736 1008322039 /nfs/dbraw/zinc/32/20/39/1008322039.db2.gz UXTKMEHOKLKASN-DHLKQENFSA-N 1 3 421.585 3.770 20 0 HHADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000518573420 1008351471 /nfs/dbraw/zinc/35/14/71/1008351471.db2.gz POLVOUQPXFGGGG-GGAORHGYSA-N 1 3 421.585 3.922 20 0 HHADHO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540248793 1008352450 /nfs/dbraw/zinc/35/24/50/1008352450.db2.gz UJDUFJLVNRYPCN-AQNXPRMDSA-N 1 3 413.562 3.993 20 0 HHADHO CC(C)COc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000540465154 1008441934 /nfs/dbraw/zinc/44/19/34/1008441934.db2.gz HXWPOXXWZSSIMS-UHFFFAOYSA-N 1 3 403.611 3.637 20 0 HHADHO CC(=O)c1cccc(OC[C@H](O)CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000548950904 1008536256 /nfs/dbraw/zinc/53/62/56/1008536256.db2.gz ZHFDGAMRJFTOOG-UMEGOILYSA-N 1 3 424.585 3.897 20 0 HHADHO CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000545562087 1008658234 /nfs/dbraw/zinc/65/82/34/1008658234.db2.gz TUIXMPWDEPZKIM-VWLOTQADSA-N 1 3 420.601 3.565 20 0 HHADHO CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545562087 1008658241 /nfs/dbraw/zinc/65/82/41/1008658241.db2.gz TUIXMPWDEPZKIM-VWLOTQADSA-N 1 3 420.601 3.565 20 0 HHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519362202 1008762489 /nfs/dbraw/zinc/76/24/89/1008762489.db2.gz WHBOSQZRDMDRLE-VWNXMTODSA-N 1 3 409.549 3.819 20 0 HHADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000519362202 1008762503 /nfs/dbraw/zinc/76/25/03/1008762503.db2.gz WHBOSQZRDMDRLE-VWNXMTODSA-N 1 3 409.549 3.819 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458602 1009042136 /nfs/dbraw/zinc/04/21/36/1009042136.db2.gz GYADJAKHYMLBEG-BQFCYCMXSA-N 1 3 400.485 3.688 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458602 1009042146 /nfs/dbraw/zinc/04/21/46/1009042146.db2.gz GYADJAKHYMLBEG-BQFCYCMXSA-N 1 3 400.485 3.688 20 0 HHADHO C[N@H+](CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000546016399 1009049604 /nfs/dbraw/zinc/04/96/04/1009049604.db2.gz HCOHFBLKTZFGAS-UHFFFAOYSA-N 1 3 422.013 3.954 20 0 HHADHO C[N@@H+](CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000546016399 1009049629 /nfs/dbraw/zinc/04/96/29/1009049629.db2.gz HCOHFBLKTZFGAS-UHFFFAOYSA-N 1 3 422.013 3.954 20 0 HHADHO CN(C)C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000549490474 1009092268 /nfs/dbraw/zinc/09/22/68/1009092268.db2.gz QIENRBYBCFACMM-OAQYLSRUSA-N 1 3 415.969 3.554 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)N(C)C)cc1 ZINC000520067935 1009230333 /nfs/dbraw/zinc/23/03/33/1009230333.db2.gz OLBJJKHDJKCWGU-JOCHJYFZSA-N 1 3 400.542 3.510 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775957 1009344684 /nfs/dbraw/zinc/34/46/84/1009344684.db2.gz SJMTUURQWDAFJF-UWJYYQICSA-N 1 3 414.546 3.520 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775957 1009344700 /nfs/dbraw/zinc/34/47/00/1009344700.db2.gz SJMTUURQWDAFJF-UWJYYQICSA-N 1 3 414.546 3.520 20 0 HHADHO CC(C)Cn1cc(CNCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cn1 ZINC000543873419 1009444116 /nfs/dbraw/zinc/44/41/16/1009444116.db2.gz QKVNCGBGLKAPAR-UHFFFAOYSA-N 1 3 409.500 3.600 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000543998238 1009598911 /nfs/dbraw/zinc/59/89/11/1009598911.db2.gz PDUWOMXHFMVCAC-ZWKOTPCHSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000543998238 1009598921 /nfs/dbraw/zinc/59/89/21/1009598921.db2.gz PDUWOMXHFMVCAC-ZWKOTPCHSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000543998238 1009598930 /nfs/dbraw/zinc/59/89/30/1009598930.db2.gz PDUWOMXHFMVCAC-ZWKOTPCHSA-N 1 3 400.567 3.606 20 0 HHADHO O=C1CC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c2ccccc2N1 ZINC000544360548 1009987628 /nfs/dbraw/zinc/98/76/28/1009987628.db2.gz LNFQCAUESYUXEY-HSZRJFAPSA-N 1 3 406.574 3.648 20 0 HHADHO CC1(C(=O)NCCCN2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000544374360 1010001554 /nfs/dbraw/zinc/00/15/54/1010001554.db2.gz KCEUTPICDUGRAA-UHFFFAOYSA-N 1 3 405.586 3.853 20 0 HHADHO C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511430 1010334264 /nfs/dbraw/zinc/33/42/64/1010334264.db2.gz FUJKBGHDXLUKQY-PMVMPFDFSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511430 1010334276 /nfs/dbraw/zinc/33/42/76/1010334276.db2.gz FUJKBGHDXLUKQY-PMVMPFDFSA-N 1 3 412.647 3.537 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000521697082 1010558387 /nfs/dbraw/zinc/55/83/87/1010558387.db2.gz NLRQQDNAICYGEX-QFIPXVFZSA-N 1 3 413.610 3.619 20 0 HHADHO CCCN(C(=O)NC[C@@H]1CC[N@H+](CCC)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522433683 1011009518 /nfs/dbraw/zinc/00/95/18/1011009518.db2.gz CRHMHDWCOHYXGD-GOTSBHOMSA-N 1 3 400.611 3.805 20 0 HHADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+](CCC)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000522433683 1011009524 /nfs/dbraw/zinc/00/95/24/1011009524.db2.gz CRHMHDWCOHYXGD-GOTSBHOMSA-N 1 3 400.611 3.805 20 0 HHADHO O=c1[nH]c(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccc21 ZINC000536486610 1011699694 /nfs/dbraw/zinc/69/96/94/1011699694.db2.gz ULSNOXMTZCCWNF-UHFFFAOYSA-N 1 3 402.542 3.866 20 0 HHADHO O=c1[nH]c(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccc21 ZINC000536486610 1011699702 /nfs/dbraw/zinc/69/97/02/1011699702.db2.gz ULSNOXMTZCCWNF-UHFFFAOYSA-N 1 3 402.542 3.866 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cn(C)nc2-c2ccccc2)CC1 ZINC000541088904 1011732209 /nfs/dbraw/zinc/73/22/09/1011732209.db2.gz FZWHFUJULCQVSZ-UHFFFAOYSA-N 1 3 403.574 3.909 20 0 HHADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(-c2ccccn2)s1 ZINC000536664566 1011814343 /nfs/dbraw/zinc/81/43/43/1011814343.db2.gz PWALBDLHYDQMMW-UHFFFAOYSA-N 1 3 413.635 3.833 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000541156113 1011817593 /nfs/dbraw/zinc/81/75/93/1011817593.db2.gz SPQVEZRXCUHUFV-HSZRJFAPSA-N 1 3 408.030 3.941 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000523340567 1011819407 /nfs/dbraw/zinc/81/94/07/1011819407.db2.gz KPGCDWYDXDUBBC-NRFANRHFSA-N 1 3 414.981 3.537 20 0 HHADHO C[C@@H]1C[NH+](CCC2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@@H](C)O1 ZINC000536709757 1011882147 /nfs/dbraw/zinc/88/21/47/1011882147.db2.gz NGHSBGSOHZQETI-QZTJIDSGSA-N 1 3 400.542 3.927 20 0 HHADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000541218988 1011891934 /nfs/dbraw/zinc/89/19/34/1011891934.db2.gz XOIVKNPYTLIMHM-MRXNPFEDSA-N 1 3 400.567 3.605 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000536747415 1011934034 /nfs/dbraw/zinc/93/40/34/1011934034.db2.gz XAKKATZSCZNQIG-OAQYLSRUSA-N 1 3 415.607 3.742 20 0 HHADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536855736 1012088325 /nfs/dbraw/zinc/08/83/25/1012088325.db2.gz CBYFVRBJZJXBOH-QRVBRYPASA-N 1 3 410.002 3.556 20 0 HHADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC000552090930 1012106164 /nfs/dbraw/zinc/10/61/64/1012106164.db2.gz XMFHTJDRJRDGMJ-UIBIWLFHSA-N 1 3 407.628 3.696 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H](C)C1 ZINC000536876585 1012120879 /nfs/dbraw/zinc/12/08/79/1012120879.db2.gz OJVMHXZGABHPLC-OFNKIYASSA-N 1 3 401.595 3.539 20 0 HHADHO CN(C)Cc1cccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000537048877 1012372313 /nfs/dbraw/zinc/37/23/13/1012372313.db2.gz HTYRQKRIZFSVAK-UHFFFAOYSA-N 1 3 410.562 3.587 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@H](NCc1ccc(CN3CCOCC3)cc1)c1ccccc1O2 ZINC000537166896 1012569454 /nfs/dbraw/zinc/56/94/54/1012569454.db2.gz ICOKJPANCRDXBA-DEOSSOPVSA-N 1 3 421.585 3.597 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2cccs2)CC1 ZINC000541882372 1012752398 /nfs/dbraw/zinc/75/23/98/1012752398.db2.gz HTNBJIMANIEAPL-CJRSTVEYSA-N 1 3 424.658 3.537 20 0 HHADHO CN1CCN([C@H](CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2cccs2)CC1 ZINC000541882372 1012752412 /nfs/dbraw/zinc/75/24/12/1012752412.db2.gz HTNBJIMANIEAPL-CJRSTVEYSA-N 1 3 424.658 3.537 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915048 1012773072 /nfs/dbraw/zinc/77/30/72/1012773072.db2.gz WDWZPEPKNKLPSQ-DYESRHJHSA-N 1 3 407.558 3.724 20 0 HHADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000541915048 1012773087 /nfs/dbraw/zinc/77/30/87/1012773087.db2.gz WDWZPEPKNKLPSQ-DYESRHJHSA-N 1 3 407.558 3.724 20 0 HHADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552780665 1012784907 /nfs/dbraw/zinc/78/49/07/1012784907.db2.gz KNBDVZKAHUGNEB-UHFFFAOYSA-N 1 3 421.541 3.897 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541985058 1012861167 /nfs/dbraw/zinc/86/11/67/1012861167.db2.gz VUAXFXAEEMVMCC-QHCPKHFHSA-N 1 3 419.613 3.752 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cccc(OC(F)F)c3)CC2)CC1 ZINC000552998326 1012973605 /nfs/dbraw/zinc/97/36/05/1012973605.db2.gz ANZWFFYZXAPFBW-INIZCTEOSA-N 1 3 409.521 3.662 20 0 HHADHO CC(C)(C)OC(=O)N1CCC2(CC[C@H](CNC3CC[NH+](CC4CC4)CC3)OC2)CC1 ZINC001168351178 1072533302 /nfs/dbraw/zinc/53/33/02/1072533302.db2.gz KIVYRTRTSUHPFQ-OAQYLSRUSA-N 1 3 421.626 3.647 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594904 1072890279 /nfs/dbraw/zinc/89/02/79/1072890279.db2.gz DOJPFLMZKRCLCN-OEMFJLHTSA-N 1 3 407.558 3.991 20 0 HHADHO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001142594904 1072890291 /nfs/dbraw/zinc/89/02/91/1072890291.db2.gz DOJPFLMZKRCLCN-OEMFJLHTSA-N 1 3 407.558 3.991 20 0 HHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000554919974 1072952609 /nfs/dbraw/zinc/95/26/09/1072952609.db2.gz QWJWXAOXNKDBSR-DEOSSOPVSA-N 1 3 414.638 3.705 20 0 HHADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000554919974 1072952620 /nfs/dbraw/zinc/95/26/20/1072952620.db2.gz QWJWXAOXNKDBSR-DEOSSOPVSA-N 1 3 414.638 3.705 20 0 HHADHO O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523937 1073596895 /nfs/dbraw/zinc/59/68/95/1073596895.db2.gz AHQGKAPJMZDXMZ-JYFHCDHNSA-N 1 3 403.570 3.747 20 0 HHADHO O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000555523937 1073596904 /nfs/dbraw/zinc/59/69/04/1073596904.db2.gz AHQGKAPJMZDXMZ-JYFHCDHNSA-N 1 3 403.570 3.747 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000591092151 1074107129 /nfs/dbraw/zinc/10/71/29/1074107129.db2.gz HMXSHCSLIGSPKC-NZQKXSOJSA-N 1 3 409.574 3.973 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000591092151 1074107132 /nfs/dbraw/zinc/10/71/32/1074107132.db2.gz HMXSHCSLIGSPKC-NZQKXSOJSA-N 1 3 409.574 3.973 20 0 HHADHO CC(C)N1CCC[C@H](C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000591711888 1074501531 /nfs/dbraw/zinc/50/15/31/1074501531.db2.gz BKEYFARYTQHYQL-LJQANCHMSA-N 1 3 414.619 3.857 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000593501732 1075205325 /nfs/dbraw/zinc/20/53/25/1075205325.db2.gz MKUCJMARGPMXMK-UHFFFAOYSA-N 1 3 420.623 3.500 20 0 HHADHO CN(C)Cc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000595963724 1075526255 /nfs/dbraw/zinc/52/62/55/1075526255.db2.gz GLAQMRZKDNRRGA-UHFFFAOYSA-N 1 3 408.546 3.815 20 0 HHADHO Cc1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164683372 719657730 /nfs/dbraw/zinc/65/77/30/719657730.db2.gz VDPXJRDTRVSDCT-OAQYLSRUSA-N 1 3 420.601 3.792 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000301388033 970900970 /nfs/dbraw/zinc/90/09/70/970900970.db2.gz DLGMTVCRYIKDLL-GOSISDBHSA-N 1 3 417.395 3.830 20 0 HHADHO Cc1nc2ccc(Br)cc2c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000301388033 970900975 /nfs/dbraw/zinc/90/09/75/970900975.db2.gz DLGMTVCRYIKDLL-GOSISDBHSA-N 1 3 417.395 3.830 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121028 971513545 /nfs/dbraw/zinc/51/35/45/971513545.db2.gz FSDSVIMGCASUOO-IRXDYDNUSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000303121028 971513551 /nfs/dbraw/zinc/51/35/51/971513551.db2.gz FSDSVIMGCASUOO-IRXDYDNUSA-N 1 3 400.485 3.949 20 0 HHADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172056 971541335 /nfs/dbraw/zinc/54/13/35/971541335.db2.gz VUVWDWCFUVKEMS-RXVVDRJESA-N 1 3 411.512 3.679 20 0 HHADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303172054 971541371 /nfs/dbraw/zinc/54/13/71/971541371.db2.gz VUVWDWCFUVKEMS-GHTZIAJQSA-N 1 3 411.512 3.679 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000303233959 971572331 /nfs/dbraw/zinc/57/23/31/971572331.db2.gz ZALDGFLUEKFAKS-UHFFFAOYSA-N 1 3 413.606 3.615 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520126 971821256 /nfs/dbraw/zinc/82/12/56/971821256.db2.gz YVVZSEKSURFMEE-RDPSFJRHSA-N 1 3 424.589 3.652 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)N2CCCC2)cc1 ZINC000303520126 971821263 /nfs/dbraw/zinc/82/12/63/971821263.db2.gz YVVZSEKSURFMEE-RDPSFJRHSA-N 1 3 424.589 3.652 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)C[C@@H](C)O1 ZINC000303820075 972051786 /nfs/dbraw/zinc/05/17/86/972051786.db2.gz JVZLYCKTTIWNMH-IAGOWNOFSA-N 1 3 418.969 3.754 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000537622746 1013171191 /nfs/dbraw/zinc/17/11/91/1013171191.db2.gz ISEULBDPKZAMTG-UHFFFAOYSA-N 1 3 400.542 3.705 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000542464032 1013412424 /nfs/dbraw/zinc/41/24/24/1013412424.db2.gz WDZJLNZLDWUIJU-ROUUACIJSA-N 1 3 400.567 3.606 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000542464032 1013412431 /nfs/dbraw/zinc/41/24/31/1013412431.db2.gz WDZJLNZLDWUIJU-ROUUACIJSA-N 1 3 400.567 3.606 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)CC2)CC1 ZINC000553544478 1013440559 /nfs/dbraw/zinc/44/05/59/1013440559.db2.gz LQIBGIRHJZKDGW-UHFFFAOYSA-N 1 3 409.578 3.586 20 0 HHADHO C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531468 1013474072 /nfs/dbraw/zinc/47/40/72/1013474072.db2.gz KXYDJSZBGFJPMF-UXLLHSPISA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531468 1013474077 /nfs/dbraw/zinc/47/40/77/1013474077.db2.gz KXYDJSZBGFJPMF-UXLLHSPISA-N 1 3 401.378 3.976 20 0 HHADHO C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCN1Cc1ccccc1 ZINC000537897891 1013481935 /nfs/dbraw/zinc/48/19/35/1013481935.db2.gz VKSHNGWVNRNTGG-OAQYLSRUSA-N 1 3 421.589 3.604 20 0 HHADHO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759350 964689728 /nfs/dbraw/zinc/68/97/28/964689728.db2.gz NCZXEXUSBCJPPO-MRXNPFEDSA-N 1 3 415.607 3.557 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccccc3Cl)CC2)CC1 ZINC000051777816 964694988 /nfs/dbraw/zinc/69/49/88/964694988.db2.gz JEGFXQURBUHZEN-OAQYLSRUSA-N 1 3 404.986 3.745 20 0 HHADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)CC1 ZINC000542591403 1013531822 /nfs/dbraw/zinc/53/18/22/1013531822.db2.gz GQUHCFFFLBZWEY-UHFFFAOYSA-N 1 3 408.590 3.510 20 0 HHADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000537959488 1013539904 /nfs/dbraw/zinc/53/99/04/1013539904.db2.gz JKRSZNAOITZXKV-RYGJVYDSSA-N 1 3 400.592 3.932 20 0 HHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000537968726 1013545520 /nfs/dbraw/zinc/54/55/20/1013545520.db2.gz UQUXZMXAHBYJMN-BRWVUGGUSA-N 1 3 415.500 3.902 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)c(Br)c1 ZINC000537968398 1013545796 /nfs/dbraw/zinc/54/57/96/1013545796.db2.gz DQWNWRFKJDBKDG-CQSZACIVSA-N 1 3 422.342 3.730 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccncc2)cc1 ZINC000537970447 1013547840 /nfs/dbraw/zinc/54/78/40/1013547840.db2.gz VINNIARKBGLGNT-LJQANCHMSA-N 1 3 402.542 3.891 20 0 HHADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000537972581 1013549547 /nfs/dbraw/zinc/54/95/47/1013549547.db2.gz QZVAJMVCIJJEQE-HSZRJFAPSA-N 1 3 407.558 3.824 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000537986594 1013561569 /nfs/dbraw/zinc/56/15/69/1013561569.db2.gz KCBBKTMDSKWDKB-IEZKXTBUSA-N 1 3 401.639 3.796 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000057854841 965565686 /nfs/dbraw/zinc/56/56/86/965565686.db2.gz FWONWXBITCZJAM-DEOSSOPVSA-N 1 3 412.622 3.977 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2)CC1 ZINC000057854509 965565976 /nfs/dbraw/zinc/56/59/76/965565976.db2.gz KECFJQCZHNPHQP-QHCPKHFHSA-N 1 3 400.611 3.833 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000054720010 965621436 /nfs/dbraw/zinc/62/14/36/965621436.db2.gz RVQXURNJAXGKGQ-YKSBVNFPSA-N 1 3 406.574 3.917 20 0 HHADHO CCOc1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1OCC(C)C ZINC000542689911 1013608930 /nfs/dbraw/zinc/60/89/30/1013608930.db2.gz ACSQAPCONFHOGM-UHFFFAOYSA-N 1 3 417.638 3.970 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)N2CCCCC2)cc1 ZINC000060954423 966335564 /nfs/dbraw/zinc/33/55/64/966335564.db2.gz WPONNFLPLAILIC-BJKOFHAPSA-N 1 3 424.589 3.824 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2)CC1 ZINC000061198774 966395005 /nfs/dbraw/zinc/39/50/05/966395005.db2.gz DBLVEQFKQRSKBG-UHFFFAOYSA-N 1 3 400.611 3.554 20 0 HHADHO CC[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000061521197 966487724 /nfs/dbraw/zinc/48/77/24/966487724.db2.gz WWHURYHUHVKIKX-VWLOTQADSA-N 1 3 420.601 3.919 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)N(C)C)cc1 ZINC000062503110 966693375 /nfs/dbraw/zinc/69/33/75/966693375.db2.gz IHDRHXKTUDUAQJ-QFIPXVFZSA-N 1 3 418.532 3.649 20 0 HHADHO CC(C)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538100459 1013669393 /nfs/dbraw/zinc/66/93/93/1013669393.db2.gz FFPANPVEFXVTPA-FQEVSTJZSA-N 1 3 402.410 3.670 20 0 HHADHO CC(C)[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000063148503 966761761 /nfs/dbraw/zinc/76/17/61/966761761.db2.gz DTKHFZNJWFLKHQ-HSZRJFAPSA-N 1 3 416.679 3.872 20 0 HHADHO Cc1ccc([C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)[NH+](C)C)cc1 ZINC000065470234 967483548 /nfs/dbraw/zinc/48/35/48/967483548.db2.gz FTPVIYVBSUOWCL-VQTJNVASSA-N 1 3 400.592 3.796 20 0 HHADHO Cc1ccccc1CN1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000065550553 967515823 /nfs/dbraw/zinc/51/58/23/967515823.db2.gz PJWGQIFDRLAWFR-FQEVSTJZSA-N 1 3 400.611 3.723 20 0 HHADHO Cc1ccccc1CN1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000065550553 967515828 /nfs/dbraw/zinc/51/58/28/967515828.db2.gz PJWGQIFDRLAWFR-FQEVSTJZSA-N 1 3 400.611 3.723 20 0 HHADHO CC[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000047306006 968132923 /nfs/dbraw/zinc/13/29/23/968132923.db2.gz AMPHZZJZYQNVKJ-VWLOTQADSA-N 1 3 405.586 3.852 20 0 HHADHO COc1cccc([C@@H](C[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)N(C)C)c1 ZINC000538268521 1013809042 /nfs/dbraw/zinc/80/90/42/1013809042.db2.gz IODNNQOGFIDZOH-XZOQPEGZSA-N 1 3 409.574 3.876 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000108531889 969391125 /nfs/dbraw/zinc/39/11/25/969391125.db2.gz IHPWZQXLHPCPFI-UHFFFAOYSA-N 1 3 409.574 3.931 20 0 HHADHO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109339332 969501983 /nfs/dbraw/zinc/50/19/83/969501983.db2.gz ZMRFSPLSKTYZNZ-QHCPKHFHSA-N 1 3 409.549 3.772 20 0 HHADHO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000109339332 969501988 /nfs/dbraw/zinc/50/19/88/969501988.db2.gz ZMRFSPLSKTYZNZ-QHCPKHFHSA-N 1 3 409.549 3.772 20 0 HHADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000110149172 969629928 /nfs/dbraw/zinc/62/99/28/969629928.db2.gz DUBYFEPKEWWISM-CTNGQTDRSA-N 1 3 411.512 3.678 20 0 HHADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000110149172 969629930 /nfs/dbraw/zinc/62/99/30/969629930.db2.gz DUBYFEPKEWWISM-CTNGQTDRSA-N 1 3 411.512 3.678 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000110430681 969667314 /nfs/dbraw/zinc/66/73/14/969667314.db2.gz CLMIRBYJPHHPGG-VIZSFHNOSA-N 1 3 418.622 3.545 20 0 HHADHO CCCCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000216000753 970059357 /nfs/dbraw/zinc/05/93/57/970059357.db2.gz JGWKEPYHMAKJPB-UHFFFAOYSA-N 1 3 402.583 3.854 20 0 HHADHO c1c(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000236635526 970150150 /nfs/dbraw/zinc/15/01/50/970150150.db2.gz NLRIOJYVAGZBDE-FQEVSTJZSA-N 1 3 417.557 3.525 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000236801707 970174552 /nfs/dbraw/zinc/17/45/52/970174552.db2.gz OWSFWLUALMWEOH-VWLOTQADSA-N 1 3 411.590 3.829 20 0 HHADHO CC[N@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 ZINC000236882905 970184479 /nfs/dbraw/zinc/18/44/79/970184479.db2.gz HSZVKQVMSUYJMT-UHFFFAOYSA-N 1 3 420.557 3.990 20 0 HHADHO CC[N@@H+](C)Cc1cccc(CNCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 ZINC000236882905 970184483 /nfs/dbraw/zinc/18/44/83/970184483.db2.gz HSZVKQVMSUYJMT-UHFFFAOYSA-N 1 3 420.557 3.990 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@@H](C)O1 ZINC000237402794 970278420 /nfs/dbraw/zinc/27/84/20/970278420.db2.gz CIMYIGPXIOEZOC-HZPDHXFCSA-N 1 3 409.368 3.704 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccc(-c4ccncc4)c3)c2)C1 ZINC000237924329 970395383 /nfs/dbraw/zinc/39/53/83/970395383.db2.gz MJACXJFPNAIVJO-RUZDIDTESA-N 1 3 414.553 3.736 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc(-c4ccncc4)c3)c2)C1 ZINC000237924329 970395391 /nfs/dbraw/zinc/39/53/91/970395391.db2.gz MJACXJFPNAIVJO-RUZDIDTESA-N 1 3 414.553 3.736 20 0 HHADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000195606780 970549444 /nfs/dbraw/zinc/54/94/44/970549444.db2.gz WAANTTQRXPERKN-BJKOFHAPSA-N 1 3 406.574 3.787 20 0 HHADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000410312518 973855937 /nfs/dbraw/zinc/85/59/37/973855937.db2.gz SBPDHZFZWGLONO-UHFFFAOYSA-N 1 3 420.601 3.611 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830481 974694913 /nfs/dbraw/zinc/69/49/13/974694913.db2.gz YMBRBDHFIOOISK-BDTNDASRSA-N 1 3 415.622 3.553 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830481 974694915 /nfs/dbraw/zinc/69/49/15/974694915.db2.gz YMBRBDHFIOOISK-BDTNDASRSA-N 1 3 415.622 3.553 20 0 HHADHO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000427356692 975074879 /nfs/dbraw/zinc/07/48/79/975074879.db2.gz HMPCUPNWGMIYKZ-SFTDATJTSA-N 1 3 413.606 3.634 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000428283286 975596665 /nfs/dbraw/zinc/59/66/65/975596665.db2.gz STSFIJPWELSIQK-OFVILXPXSA-N 1 3 420.601 3.787 20 0 HHADHO C[C@H]1C[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000428283286 975596684 /nfs/dbraw/zinc/59/66/84/975596684.db2.gz STSFIJPWELSIQK-OFVILXPXSA-N 1 3 420.601 3.787 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000428534072 975829499 /nfs/dbraw/zinc/82/94/99/975829499.db2.gz DTHDFXPEKKENEL-NOZRDPDXSA-N 1 3 411.565 3.614 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000428534074 975829791 /nfs/dbraw/zinc/82/97/91/975829791.db2.gz DTHDFXPEKKENEL-ZCYQVOJMSA-N 1 3 411.565 3.614 20 0 HHADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429331310 976596403 /nfs/dbraw/zinc/59/64/03/976596403.db2.gz VBRKSODGYSQTIV-FQEVSTJZSA-N 1 3 421.541 3.515 20 0 HHADHO Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000429602758 976883796 /nfs/dbraw/zinc/88/37/96/976883796.db2.gz QCEUHIIONFIENQ-YADHBBJMSA-N 1 3 424.593 3.587 20 0 HHADHO Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000429602757 976884280 /nfs/dbraw/zinc/88/42/80/976884280.db2.gz QCEUHIIONFIENQ-VXKWHMMOSA-N 1 3 424.593 3.587 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000431157843 978058503 /nfs/dbraw/zinc/05/85/03/978058503.db2.gz ZBYICHMMXMDPOR-QFIPXVFZSA-N 1 3 424.593 3.587 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000431628826 978395405 /nfs/dbraw/zinc/39/54/05/978395405.db2.gz AIISLCJPDKYUQM-UHFFFAOYSA-N 1 3 400.611 3.662 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854704 978553860 /nfs/dbraw/zinc/55/38/60/978553860.db2.gz PNHLMOJJVBMSQL-VIZSFHNOSA-N 1 3 405.627 3.521 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000431854704 978553865 /nfs/dbraw/zinc/55/38/65/978553865.db2.gz PNHLMOJJVBMSQL-VIZSFHNOSA-N 1 3 405.627 3.521 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3F)CC2)CC1 ZINC000432375775 978784947 /nfs/dbraw/zinc/78/49/47/978784947.db2.gz SZZZSMCSIYQXOV-QFIPXVFZSA-N 1 3 420.548 3.760 20 0 HHADHO CC[C@@]1(CO)CCCN(Cc2cc(C[N@@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975743 /nfs/dbraw/zinc/97/57/43/978975743.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 1 3 418.622 3.664 20 0 HHADHO CC[C@@]1(CO)CCCN(Cc2cc(C[N@H+]3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975747 /nfs/dbraw/zinc/97/57/47/978975747.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 1 3 418.622 3.664 20 0 HHADHO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(CN3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975749 /nfs/dbraw/zinc/97/57/49/978975749.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 1 3 418.622 3.664 20 0 HHADHO CC[C@@]1(CO)CCC[N@H+](Cc2cc(CN3CCC[C@](CC)(CO)C3)cc(OC)c2)C1 ZINC000432792091 978975751 /nfs/dbraw/zinc/97/57/51/978975751.db2.gz IOTQZQONHMPDTR-PLQXJYEYSA-N 1 3 418.622 3.664 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000432835933 978988011 /nfs/dbraw/zinc/98/80/11/978988011.db2.gz KFXTUMYQCFGJES-PXDATVDWSA-N 1 3 405.586 3.954 20 0 HHADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433050380 979052216 /nfs/dbraw/zinc/05/22/16/979052216.db2.gz BKTJMXVVYUSIKI-QFIPXVFZSA-N 1 3 405.586 3.722 20 0 HHADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000434449237 980188608 /nfs/dbraw/zinc/18/86/08/980188608.db2.gz WOOWLAYYNVOHOL-CTNGQTDRSA-N 1 3 409.496 3.574 20 0 HHADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000434449237 980188617 /nfs/dbraw/zinc/18/86/17/980188617.db2.gz WOOWLAYYNVOHOL-CTNGQTDRSA-N 1 3 409.496 3.574 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521265 980917066 /nfs/dbraw/zinc/91/70/66/980917066.db2.gz GJKPJZOGXPMARF-NNWRFLSQSA-N 1 3 424.593 3.585 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521265 980917069 /nfs/dbraw/zinc/91/70/69/980917069.db2.gz GJKPJZOGXPMARF-NNWRFLSQSA-N 1 3 424.593 3.585 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475857 981818890 /nfs/dbraw/zinc/81/88/90/981818890.db2.gz WSIMCWXPAFJXGA-JTHBVZDNSA-N 1 3 400.611 3.660 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000448475857 981818903 /nfs/dbraw/zinc/81/89/03/981818903.db2.gz WSIMCWXPAFJXGA-JTHBVZDNSA-N 1 3 400.611 3.660 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)(N2CCCCC2)CC1 ZINC000460503924 982292897 /nfs/dbraw/zinc/29/28/97/982292897.db2.gz NARWALKVFZVMEO-PMACEKPBSA-N 1 3 423.523 3.875 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCC3)CC2)CC1 ZINC000460933581 982671579 /nfs/dbraw/zinc/67/15/79/982671579.db2.gz GHTOAAANKJRCIR-UHFFFAOYSA-N 1 3 423.523 3.802 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438837232 983105931 /nfs/dbraw/zinc/10/59/31/983105931.db2.gz INCGRXULOBEVBV-HXUWFJFHSA-N 1 3 423.605 3.947 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438837232 983105935 /nfs/dbraw/zinc/10/59/35/983105935.db2.gz INCGRXULOBEVBV-HXUWFJFHSA-N 1 3 423.605 3.947 20 0 HHADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438864268 983129817 /nfs/dbraw/zinc/12/98/17/983129817.db2.gz JOCLGXNKGOIQAE-KNQAVFIVSA-N 1 3 401.599 3.561 20 0 HHADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438864268 983129820 /nfs/dbraw/zinc/12/98/20/983129820.db2.gz JOCLGXNKGOIQAE-KNQAVFIVSA-N 1 3 401.599 3.561 20 0 HHADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000438865652 983130574 /nfs/dbraw/zinc/13/05/74/983130574.db2.gz RZHPEHZIJSNONN-WOJBJXKFSA-N 1 3 415.626 3.807 20 0 HHADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000438865652 983130578 /nfs/dbraw/zinc/13/05/78/983130578.db2.gz RZHPEHZIJSNONN-WOJBJXKFSA-N 1 3 415.626 3.807 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000439765069 983529498 /nfs/dbraw/zinc/52/94/98/983529498.db2.gz DRKCYOLPWHJVDG-REWPJTCUSA-N 1 3 406.574 3.635 20 0 HHADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000439765069 983529502 /nfs/dbraw/zinc/52/95/02/983529502.db2.gz DRKCYOLPWHJVDG-REWPJTCUSA-N 1 3 406.574 3.635 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1(C)C ZINC000441382136 984221195 /nfs/dbraw/zinc/22/11/95/984221195.db2.gz NGXQKLKBLIIMKO-UHFFFAOYSA-N 1 3 418.029 3.939 20 0 HHADHO CCC[C@H]1CCc2nc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)sc2C1 ZINC000441953517 984563114 /nfs/dbraw/zinc/56/31/14/984563114.db2.gz RFPYNUCXBCJULC-INIZCTEOSA-N 1 3 419.639 3.728 20 0 HHADHO O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000462024600 985002051 /nfs/dbraw/zinc/00/20/51/985002051.db2.gz CSBHGBSQELNDBC-UHFFFAOYSA-N 1 3 406.574 3.823 20 0 HHADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000442874812 985254314 /nfs/dbraw/zinc/25/43/14/985254314.db2.gz NYLCEDXCBVMHFA-ZDUSSCGKSA-N 1 3 407.452 3.566 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532005 985480693 /nfs/dbraw/zinc/48/06/93/985480693.db2.gz XZPJQMQMJKICHY-YKSBVNFPSA-N 1 3 406.574 3.602 20 0 HHADHO COC(=O)c1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)n(C)c1C ZINC000462785817 985720617 /nfs/dbraw/zinc/72/06/17/985720617.db2.gz SAVKKIDTWOZUDZ-UHFFFAOYSA-N 1 3 403.954 3.775 20 0 HHADHO CC(C)(C)OC(=O)c1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000462791383 985725048 /nfs/dbraw/zinc/72/50/48/985725048.db2.gz OSNFVKZGAVTYES-UHFFFAOYSA-N 1 3 410.558 3.888 20 0 HHADHO CC1CCN(CCC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)c2ccc(F)cc2)CC1 ZINC000462824455 985748117 /nfs/dbraw/zinc/74/81/17/985748117.db2.gz YPXCXCLKIDAFAK-UGKGYDQZSA-N 1 3 410.599 3.793 20 0 HHADHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000468156887 985831460 /nfs/dbraw/zinc/83/14/60/985831460.db2.gz ZXNHSDRJPCORNF-OAQYLSRUSA-N 1 3 408.537 3.520 20 0 HHADHO Cc1nc2ccc(Br)cc2c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000462917661 985851304 /nfs/dbraw/zinc/85/13/04/985851304.db2.gz XDJHPYWQBQAZLV-FQEVSTJZSA-N 1 3 419.411 3.720 20 0 HHADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144626 986114137 /nfs/dbraw/zinc/11/41/37/986114137.db2.gz KWHIYVJPGYJFFW-RCXJIHSJSA-N 1 3 407.602 3.573 20 0 HHADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144626 986114142 /nfs/dbraw/zinc/11/41/42/986114142.db2.gz KWHIYVJPGYJFFW-RCXJIHSJSA-N 1 3 407.602 3.573 20 0 HHADHO C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463144628 986114219 /nfs/dbraw/zinc/11/42/19/986114219.db2.gz KWHIYVJPGYJFFW-ZSQFBXSQSA-N 1 3 407.602 3.573 20 0 HHADHO C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463144628 986114224 /nfs/dbraw/zinc/11/42/24/986114224.db2.gz KWHIYVJPGYJFFW-ZSQFBXSQSA-N 1 3 407.602 3.573 20 0 HHADHO CCN1CCO[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000463254751 986223398 /nfs/dbraw/zinc/22/33/98/986223398.db2.gz KHNGILPBPPIULZ-UIOOFZCWSA-N 1 3 407.602 3.745 20 0 HHADHO CCN1CCO[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000463254751 986223405 /nfs/dbraw/zinc/22/34/05/986223405.db2.gz KHNGILPBPPIULZ-UIOOFZCWSA-N 1 3 407.602 3.745 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000469051361 986761749 /nfs/dbraw/zinc/76/17/49/986761749.db2.gz UMSKLEAYAFIWMI-JOCHJYFZSA-N 1 3 412.622 3.557 20 0 HHADHO O=C(Nc1cccc(Br)c1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000444621864 986807483 /nfs/dbraw/zinc/80/74/83/986807483.db2.gz TVDPMOBHAFMNLH-UHFFFAOYSA-N 1 3 408.384 3.976 20 0 HHADHO C[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Br)cc1 ZINC000444738228 986906682 /nfs/dbraw/zinc/90/66/82/986906682.db2.gz RRXAXBVAKYXBCU-HNAYVOBHSA-N 1 3 404.352 3.519 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)cc3-n3cccc3)CC2)CC1 ZINC000444860316 987017100 /nfs/dbraw/zinc/01/71/00/987017100.db2.gz NHZDFIABCAYMTC-UHFFFAOYSA-N 1 3 415.969 3.811 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Oc4ccncc4)c3)CC2)CC1 ZINC000444862653 987018596 /nfs/dbraw/zinc/01/85/96/987018596.db2.gz DEUBTPILYZORPN-UHFFFAOYSA-N 1 3 409.534 3.554 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)c3cccc(Cl)c3F)CC2)CC1 ZINC000469402375 987097352 /nfs/dbraw/zinc/09/73/52/987097352.db2.gz RXVISLUHSWGFOV-UHFFFAOYSA-N 1 3 424.992 3.615 20 0 HHADHO CCN1CCN(c2ccc(C(=O)N(C)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000469491193 987172104 /nfs/dbraw/zinc/17/21/04/987172104.db2.gz CQJBZVYRCPREGP-UHFFFAOYSA-N 1 3 420.601 3.565 20 0 HHADHO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469764595 987417301 /nfs/dbraw/zinc/41/73/01/987417301.db2.gz OQXIUPKTEAUYOK-MAUQACMESA-N 1 3 423.601 3.961 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000469768130 987420691 /nfs/dbraw/zinc/42/06/91/987420691.db2.gz JMBFTBWQIJHJKU-LDEHJYGBSA-N 1 3 409.618 3.818 20 0 HHADHO CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469770172 987421926 /nfs/dbraw/zinc/42/19/26/987421926.db2.gz TTWGMGIJKNYZEA-FZWXVRBQSA-N 1 3 411.565 3.920 20 0 HHADHO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1C ZINC000469775332 987425549 /nfs/dbraw/zinc/42/55/49/987425549.db2.gz KRUQHSAWVHPYRP-HROJSSOGSA-N 1 3 422.573 3.698 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000469776601 987425660 /nfs/dbraw/zinc/42/56/60/987425660.db2.gz RKZMKZMICUUWJW-ZZYHAFTGSA-N 1 3 415.622 3.588 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000469789607 987434337 /nfs/dbraw/zinc/43/43/37/987434337.db2.gz ZDBMTYHEPHUHSG-PXCRPINLSA-N 1 3 415.578 3.725 20 0 HHADHO CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470897160 988970197 /nfs/dbraw/zinc/97/01/97/988970197.db2.gz LVLQATIAZDDVAD-HSZRJFAPSA-N 1 3 400.611 3.949 20 0 HHADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)cc1 ZINC000471001707 989068349 /nfs/dbraw/zinc/06/83/49/989068349.db2.gz RLRCDGSVOYYRMF-XXBNENTESA-N 1 3 424.589 3.583 20 0 HHADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464830835 989071624 /nfs/dbraw/zinc/07/16/24/989071624.db2.gz MPJWFGCNURPBCP-PMACEKPBSA-N 1 3 406.640 3.798 20 0 HHADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000464830835 989071632 /nfs/dbraw/zinc/07/16/32/989071632.db2.gz MPJWFGCNURPBCP-PMACEKPBSA-N 1 3 406.640 3.798 20 0 HHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603882 989807869 /nfs/dbraw/zinc/80/78/69/989807869.db2.gz VJWZAPFYUQHIKB-GVAUOCQISA-N 1 3 418.585 3.597 20 0 HHADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471603882 989807881 /nfs/dbraw/zinc/80/78/81/989807881.db2.gz VJWZAPFYUQHIKB-GVAUOCQISA-N 1 3 418.585 3.597 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000465745797 990130958 /nfs/dbraw/zinc/13/09/58/990130958.db2.gz GHGLDOSEIMVZPB-NMVJMZGASA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000465745797 990130963 /nfs/dbraw/zinc/13/09/63/990130963.db2.gz GHGLDOSEIMVZPB-NMVJMZGASA-N 1 3 420.601 3.985 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)c3c(F)cccc3Cl)CC2)CC1 ZINC000465801826 990184158 /nfs/dbraw/zinc/18/41/58/990184158.db2.gz BBWUWSPCWGVIHK-UHFFFAOYSA-N 1 3 424.992 3.615 20 0 HHADHO Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000465804563 990186358 /nfs/dbraw/zinc/18/63/58/990186358.db2.gz DDUZNKKJNZMZIF-BJKOFHAPSA-N 1 3 412.622 3.831 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccoc3)C3CCCCC3)CC2)CC1 ZINC000465826577 990210075 /nfs/dbraw/zinc/21/00/75/990210075.db2.gz PJFHAHDWKYHPDR-UHFFFAOYSA-N 1 3 402.583 3.683 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465932750 991068648 /nfs/dbraw/zinc/06/86/48/991068648.db2.gz RNOJVBBXVPYHMA-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000465932750 991068656 /nfs/dbraw/zinc/06/86/56/991068656.db2.gz RNOJVBBXVPYHMA-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CCCN(C(=O)NC1CC[NH+](CCC)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466088748 991267954 /nfs/dbraw/zinc/26/79/54/991267954.db2.gz BQRVKZMFBBGABF-QHCPKHFHSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532431 991832475 /nfs/dbraw/zinc/83/24/75/991832475.db2.gz ITWDBXIRVCAVIE-IEZKXTBUSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1Cc1ccccc1 ZINC000466532431 991832482 /nfs/dbraw/zinc/83/24/82/991832482.db2.gz ITWDBXIRVCAVIE-IEZKXTBUSA-N 1 3 420.601 3.813 20 0 HHADHO CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000467087579 992394007 /nfs/dbraw/zinc/39/40/07/992394007.db2.gz ZRDVMKAYEOPOJO-XMMPIXPASA-N 1 3 408.590 3.597 20 0 HHADHO C[N@H+](CCOc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347287 992667574 /nfs/dbraw/zinc/66/75/74/992667574.db2.gz NVRWYAAFKBQVON-DEOSSOPVSA-N 1 3 413.537 3.951 20 0 HHADHO C[N@@H+](CCOc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1)C1CCOCC1 ZINC000467347287 992667582 /nfs/dbraw/zinc/66/75/82/992667582.db2.gz NVRWYAAFKBQVON-DEOSSOPVSA-N 1 3 413.537 3.951 20 0 HHADHO C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293780 993308698 /nfs/dbraw/zinc/30/86/98/993308698.db2.gz CAVPKTCPKAVZNP-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293780 993308705 /nfs/dbraw/zinc/30/87/05/993308705.db2.gz CAVPKTCPKAVZNP-DHLKQENFSA-N 1 3 420.601 3.815 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000480714893 993583851 /nfs/dbraw/zinc/58/38/51/993583851.db2.gz NSSCIPQNQBDOHU-JOCHJYFZSA-N 1 3 422.617 3.512 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745542 993612756 /nfs/dbraw/zinc/61/27/56/993612756.db2.gz CERROHHZRQORDU-IBGZPJMESA-N 1 3 415.603 3.918 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480745542 993612762 /nfs/dbraw/zinc/61/27/62/993612762.db2.gz CERROHHZRQORDU-IBGZPJMESA-N 1 3 415.603 3.918 20 0 HHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906479 993762948 /nfs/dbraw/zinc/76/29/48/993762948.db2.gz BMDVODFWANFAOQ-DFCKQENNSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCOCC2)cc1 ZINC000480906479 993762956 /nfs/dbraw/zinc/76/29/56/993762956.db2.gz BMDVODFWANFAOQ-DFCKQENNSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906481 993763507 /nfs/dbraw/zinc/76/35/07/993763507.db2.gz BMDVODFWANFAOQ-RCXJIHSJSA-N 1 3 407.602 3.869 20 0 HHADHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCOCC2)cc1 ZINC000480906481 993763515 /nfs/dbraw/zinc/76/35/15/993763515.db2.gz BMDVODFWANFAOQ-RCXJIHSJSA-N 1 3 407.602 3.869 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000480908923 993764920 /nfs/dbraw/zinc/76/49/20/993764920.db2.gz LBOAOPMONVJXQX-XXBNENTESA-N 1 3 410.562 3.561 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000481189287 994021436 /nfs/dbraw/zinc/02/14/36/994021436.db2.gz MAXVRWZFSWIUGJ-UZLBHIALSA-N 1 3 403.473 3.727 20 0 HHADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000481303009 994118966 /nfs/dbraw/zinc/11/89/66/994118966.db2.gz AWZMAXIPUFRTRQ-OAQYLSRUSA-N 1 3 408.590 3.894 20 0 HHADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000481321912 994141400 /nfs/dbraw/zinc/14/14/00/994141400.db2.gz YOQXJXQYJVHTLQ-LGGPFLRQSA-N 1 3 413.631 3.673 20 0 HHADHO C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000481539120 994370910 /nfs/dbraw/zinc/37/09/10/994370910.db2.gz YESLOLNDKQKKNC-MBSDFSHPSA-N 1 3 411.546 3.595 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000473519943 994374767 /nfs/dbraw/zinc/37/47/67/994374767.db2.gz BSKSEWDZFRODJL-UHFFFAOYSA-N 1 3 409.496 3.818 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473816150 994742927 /nfs/dbraw/zinc/74/29/27/994742927.db2.gz HADWEQAVELZKTO-UHFFFAOYSA-N 1 3 423.605 3.944 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NCc3cccc(C[NH+](CC)CC)c3)c2)CC1 ZINC000473831489 994762657 /nfs/dbraw/zinc/76/26/57/994762657.db2.gz SIRMYQAKYDKOAQ-UHFFFAOYSA-N 1 3 423.605 3.992 20 0 HHADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000474465939 995428147 /nfs/dbraw/zinc/42/81/47/995428147.db2.gz BAKSSMOTSMQNNH-WOJBJXKFSA-N 1 3 411.590 3.733 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436146 995428535 /nfs/dbraw/zinc/42/85/35/995428535.db2.gz IPKNQDIDROLMGE-FPOVZHCZSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436146 995428547 /nfs/dbraw/zinc/42/85/47/995428547.db2.gz IPKNQDIDROLMGE-FPOVZHCZSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482436146 995428552 /nfs/dbraw/zinc/42/85/52/995428552.db2.gz IPKNQDIDROLMGE-FPOVZHCZSA-N 1 3 415.603 3.663 20 0 HHADHO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000474551214 995516723 /nfs/dbraw/zinc/51/67/23/995516723.db2.gz CMRDYZSYYSEYML-IBGZPJMESA-N 1 3 400.611 3.740 20 0 HHADHO CCO[C@@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000482513890 995524628 /nfs/dbraw/zinc/52/46/28/995524628.db2.gz UEHAREJSJPGEHM-LGPLSSKUSA-N 1 3 423.601 3.932 20 0 HHADHO Fc1ccc(-n2nccc2C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000474598846 995556405 /nfs/dbraw/zinc/55/64/05/995556405.db2.gz JZMYBKPKWAMOCU-UHFFFAOYSA-N 1 3 407.537 3.703 20 0 HHADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631656 995625563 /nfs/dbraw/zinc/62/55/63/995625563.db2.gz OEJPZPVRRUNVIU-XUZZJYLKSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631656 995625569 /nfs/dbraw/zinc/62/55/69/995625569.db2.gz OEJPZPVRRUNVIU-XUZZJYLKSA-N 1 3 407.558 3.560 20 0 HHADHO CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475001702 995858238 /nfs/dbraw/zinc/85/82/38/995858238.db2.gz XJBGQPFJKXNNEJ-QFIPXVFZSA-N 1 3 410.562 3.755 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000475016357 995872613 /nfs/dbraw/zinc/87/26/13/995872613.db2.gz ONAJHEFQXZQPCJ-DEOSSOPVSA-N 1 3 408.590 3.944 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475175796 995973269 /nfs/dbraw/zinc/97/32/69/995973269.db2.gz RTNSJARQKBBXEC-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475175796 995973273 /nfs/dbraw/zinc/97/32/73/995973273.db2.gz RTNSJARQKBBXEC-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475177582 995974782 /nfs/dbraw/zinc/97/47/82/995974782.db2.gz ZHPSMHQFLDZSEB-GMAHTHKFSA-N 1 3 400.611 3.947 20 0 HHADHO CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475177582 995974786 /nfs/dbraw/zinc/97/47/86/995974786.db2.gz ZHPSMHQFLDZSEB-GMAHTHKFSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000483136105 995996351 /nfs/dbraw/zinc/99/63/51/995996351.db2.gz HKCHHQSWWYVQRI-CQSZACIVSA-N 1 3 408.801 3.688 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(F)(c4cccc(Cl)c4)C3)CC2)CC1 ZINC000483146970 996002561 /nfs/dbraw/zinc/00/25/61/996002561.db2.gz JAIRNHJLMURLTO-UHFFFAOYSA-N 1 3 422.976 3.525 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000475266041 996033814 /nfs/dbraw/zinc/03/38/14/996033814.db2.gz CZXFPSWHFRSMNP-ZODMCCGTSA-N 1 3 420.601 3.955 20 0 HHADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475266041 996033816 /nfs/dbraw/zinc/03/38/16/996033816.db2.gz CZXFPSWHFRSMNP-ZODMCCGTSA-N 1 3 420.601 3.955 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000483231810 996050495 /nfs/dbraw/zinc/05/04/95/996050495.db2.gz GCNFIBPUNIIQTI-OALUTQOASA-N 1 3 402.583 3.712 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000483231812 996050632 /nfs/dbraw/zinc/05/06/32/996050632.db2.gz GCNFIBPUNIIQTI-RBUKOAKNSA-N 1 3 402.583 3.712 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483495446 996217406 /nfs/dbraw/zinc/21/74/06/996217406.db2.gz YNRPORWQHNFHGY-QLBJFCOMSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483495446 996217409 /nfs/dbraw/zinc/21/74/09/996217409.db2.gz YNRPORWQHNFHGY-QLBJFCOMSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483495445 996217519 /nfs/dbraw/zinc/21/75/19/996217519.db2.gz YNRPORWQHNFHGY-ICDZXHCJSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483495445 996217523 /nfs/dbraw/zinc/21/75/23/996217523.db2.gz YNRPORWQHNFHGY-ICDZXHCJSA-N 1 3 424.585 3.559 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000483738182 996358619 /nfs/dbraw/zinc/35/86/19/996358619.db2.gz AOKUQUYQLAAFKG-QFIPXVFZSA-N 1 3 402.558 3.621 20 0 HHADHO C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493280 996816780 /nfs/dbraw/zinc/81/67/80/996816780.db2.gz BWOSRWMOIDNUNL-KCESLBEFSA-N 1 3 415.603 3.865 20 0 HHADHO C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000484493280 996816792 /nfs/dbraw/zinc/81/67/92/996816792.db2.gz BWOSRWMOIDNUNL-KCESLBEFSA-N 1 3 415.603 3.865 20 0 HHADHO CN(C)C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000485232218 997608960 /nfs/dbraw/zinc/60/89/60/997608960.db2.gz QEAJDNRFKXUBJG-HSZRJFAPSA-N 1 3 412.553 3.640 20 0 HHADHO CCOc1ccccc1NC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485410181 997842373 /nfs/dbraw/zinc/84/23/73/997842373.db2.gz STIOIJGEFOKHCT-WOJBJXKFSA-N 1 3 417.594 3.625 20 0 HHADHO C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N(C)Cc1ccccc1 ZINC000477377467 998064799 /nfs/dbraw/zinc/06/47/99/998064799.db2.gz GZZURWNSSVKMJC-JTHBVZDNSA-N 1 3 400.611 3.660 20 0 HHADHO Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@H]3CCN(Cc4ccccc4)C3)cc2)no1 ZINC000486567137 998830209 /nfs/dbraw/zinc/83/02/09/998830209.db2.gz PBFAVNPNZAIKAQ-GCJKJVERSA-N 1 3 406.530 3.957 20 0 HHADHO COc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000478426211 998951482 /nfs/dbraw/zinc/95/14/82/998951482.db2.gz DZJUFMXVTZBPCE-UHFFFAOYSA-N 1 3 424.589 3.564 20 0 HHADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060781 999051098 /nfs/dbraw/zinc/05/10/98/999051098.db2.gz BPSLTCYYWJMEIJ-ZFGGDYGUSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1ccccc1 ZINC000487060781 999051104 /nfs/dbraw/zinc/05/11/04/999051104.db2.gz BPSLTCYYWJMEIJ-ZFGGDYGUSA-N 1 3 408.590 3.717 20 0 HHADHO CCC1(CNCc2c(Br)cnn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000487563275 999213874 /nfs/dbraw/zinc/21/38/74/999213874.db2.gz VQUZCXGZDJZKMF-UHFFFAOYSA-N 1 3 405.384 3.965 20 0 HHADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000479452874 999424306 /nfs/dbraw/zinc/42/43/06/999424306.db2.gz IKOHPKNNYIWQFB-ZJOUEHCJSA-N 1 3 415.603 3.512 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(-c4ccccc4)cc3F)CC2)CC1 ZINC000488522036 999516649 /nfs/dbraw/zinc/51/66/49/999516649.db2.gz YVICMSKMLAREHQ-UHFFFAOYSA-N 1 3 424.564 3.851 20 0 HHADHO CCCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(OC(C)C)c1 ZINC000479907364 999644144 /nfs/dbraw/zinc/64/41/44/999644144.db2.gz BGDOFMBKVPVYTJ-UHFFFAOYSA-N 1 3 417.594 3.551 20 0 HHADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480252846 999756969 /nfs/dbraw/zinc/75/69/69/999756969.db2.gz FUACAXGVGCWDRX-IBGZPJMESA-N 1 3 415.603 3.774 20 0 HHADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000489543521 999788733 /nfs/dbraw/zinc/78/87/33/999788733.db2.gz QTHGWCWLCWDPRB-UHFFFAOYSA-N 1 3 400.611 3.949 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000489773166 999835433 /nfs/dbraw/zinc/83/54/33/999835433.db2.gz KOHYJPPWSSQSSK-RPBOFIJWSA-N 1 3 420.601 3.515 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000489773166 999835436 /nfs/dbraw/zinc/83/54/36/999835436.db2.gz KOHYJPPWSSQSSK-RPBOFIJWSA-N 1 3 420.601 3.515 20 0 HHADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000489874086 999852940 /nfs/dbraw/zinc/85/29/40/999852940.db2.gz OQRKHIZVICCIFV-QHCPKHFHSA-N 1 3 406.574 3.567 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489895437 999857408 /nfs/dbraw/zinc/85/74/08/999857408.db2.gz BSMGMKKVJHXSCR-OAQYLSRUSA-N 1 3 400.611 3.947 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489895437 999857410 /nfs/dbraw/zinc/85/74/10/999857410.db2.gz BSMGMKKVJHXSCR-OAQYLSRUSA-N 1 3 400.611 3.947 20 0 HHADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000480687019 999859497 /nfs/dbraw/zinc/85/94/97/999859497.db2.gz DACXWWXQUFROMJ-NRFANRHFSA-N 1 3 403.574 3.861 20 0 HHADHO Brc1cnn(CCC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000490355640 999943628 /nfs/dbraw/zinc/94/36/28/999943628.db2.gz QSBLKVBTSRJBBF-YSIASYRMSA-N 1 3 403.368 3.536 20 0 HHADHO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490654857 999989457 /nfs/dbraw/zinc/98/94/57/999989457.db2.gz ZALHIRQLZDCHQD-RDGATRHJSA-N 1 3 407.602 3.750 20 0 HHADHO C[C@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490991950 1000031181 /nfs/dbraw/zinc/03/11/81/1000031181.db2.gz YZYYXNADPVXONB-NBGIEHNGSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000490991950 1000031184 /nfs/dbraw/zinc/03/11/84/1000031184.db2.gz YZYYXNADPVXONB-NBGIEHNGSA-N 1 3 411.565 3.863 20 0 HHADHO CCc1ccc([C@@H](NCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491002830 1000032793 /nfs/dbraw/zinc/03/27/93/1000032793.db2.gz CVRACZNWZLRYAM-HSZRJFAPSA-N 1 3 400.588 3.673 20 0 HHADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1COC ZINC000505783845 1001022332 /nfs/dbraw/zinc/02/23/32/1001022332.db2.gz LYYVTECLUOGKRO-INIZCTEOSA-N 1 3 421.582 3.675 20 0 HHADHO Clc1cnn(C2CCN(C/C=C/C[NH+]3CCC(n4cc(Cl)cn4)CC3)CC2)c1 ZINC000506038109 1001181949 /nfs/dbraw/zinc/18/19/49/1001181949.db2.gz YGQCYKGWCXMYEP-OWOJBTEDSA-N 1 3 423.392 3.917 20 0 HHADHO Clc1ccccc1-c1nnc(CN2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000506041087 1001184080 /nfs/dbraw/zinc/18/40/80/1001184080.db2.gz HHENVLNPQJTJOI-UHFFFAOYSA-N 1 3 404.942 3.714 20 0 HHADHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506055263 1001195321 /nfs/dbraw/zinc/19/53/21/1001195321.db2.gz BPSCQQOTLUIMTM-SFHVURJKSA-N 1 3 407.986 3.800 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000506148104 1001248892 /nfs/dbraw/zinc/24/88/92/1001248892.db2.gz OMTADXMSNYBKPV-QFIPXVFZSA-N 1 3 418.589 3.641 20 0 HHADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000506148104 1001248897 /nfs/dbraw/zinc/24/88/97/1001248897.db2.gz OMTADXMSNYBKPV-QFIPXVFZSA-N 1 3 418.589 3.641 20 0 HHADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594712 1001451546 /nfs/dbraw/zinc/45/15/46/1001451546.db2.gz CNBMSAJGYYORPF-PXNSSMCTSA-N 1 3 424.511 3.578 20 0 HHADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN3CCC2CC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594712 1001451549 /nfs/dbraw/zinc/45/15/49/1001451549.db2.gz CNBMSAJGYYORPF-PXNSSMCTSA-N 1 3 424.511 3.578 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793699 1001533484 /nfs/dbraw/zinc/53/34/84/1001533484.db2.gz BPQAATIPEMKSSA-XPNTWCBSSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793699 1001533486 /nfs/dbraw/zinc/53/34/86/1001533486.db2.gz BPQAATIPEMKSSA-XPNTWCBSSA-N 1 3 400.611 3.803 20 0 HHADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000498126619 1001652951 /nfs/dbraw/zinc/65/29/51/1001652951.db2.gz KZOFLSFLAPEVFQ-ZJSXRUAMSA-N 1 3 406.574 3.651 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000498694760 1002081307 /nfs/dbraw/zinc/08/13/07/1002081307.db2.gz MUJJAMOIVZRVSW-DHLKQENFSA-N 1 3 422.617 3.979 20 0 HHADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000498694760 1002081315 /nfs/dbraw/zinc/08/13/15/1002081315.db2.gz MUJJAMOIVZRVSW-DHLKQENFSA-N 1 3 422.617 3.979 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CN1Cc1ccccc1 ZINC000507457376 1002081701 /nfs/dbraw/zinc/08/17/01/1002081701.db2.gz BHIYBSLPXXPGNY-ZGFBMJKBSA-N 1 3 403.570 3.535 20 0 HHADHO O=C1C[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CN1Cc1ccccc1 ZINC000507457374 1002082238 /nfs/dbraw/zinc/08/22/38/1002082238.db2.gz BHIYBSLPXXPGNY-ZFFYZDHPSA-N 1 3 403.570 3.535 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507510911 1002121301 /nfs/dbraw/zinc/12/13/01/1002121301.db2.gz NNJOIVNWZDXVBS-JIMJEQGWSA-N 1 3 413.565 3.897 20 0 HHADHO O=c1ccccn1Cc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507510911 1002121310 /nfs/dbraw/zinc/12/13/10/1002121310.db2.gz NNJOIVNWZDXVBS-JIMJEQGWSA-N 1 3 413.565 3.897 20 0 HHADHO CCCN1CCN(c2ccc(NC(=O)C3CC[NH+](C(C)C)CC3)c(OCC)c2)CC1 ZINC000507594024 1002200156 /nfs/dbraw/zinc/20/01/56/1002200156.db2.gz VKJSQHZZRQZMMT-UHFFFAOYSA-N 1 3 416.610 3.676 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)CCO1 ZINC000499164060 1002550562 /nfs/dbraw/zinc/55/05/62/1002550562.db2.gz YXYQLPRCDOGRNK-OUJCMCIWSA-N 1 3 406.574 3.592 20 0 HHADHO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508698066 1003136319 /nfs/dbraw/zinc/13/63/19/1003136319.db2.gz NLTDMMLIAZHKGC-KWOQKUFVSA-N 1 3 407.558 3.804 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508897650 1003328792 /nfs/dbraw/zinc/32/87/92/1003328792.db2.gz OHIDZQXMIVMMGF-PMWMKWCKSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508897650 1003328805 /nfs/dbraw/zinc/32/88/05/1003328805.db2.gz OHIDZQXMIVMMGF-PMWMKWCKSA-N 1 3 420.601 3.985 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508908401 1003348543 /nfs/dbraw/zinc/34/85/43/1003348543.db2.gz SIEJLVVCMLKVQS-XJUOHMSHSA-N 1 3 400.611 3.975 20 0 HHADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000500114966 1003476682 /nfs/dbraw/zinc/47/66/82/1003476682.db2.gz YTJPGFJHBREALZ-NMMYMHLASA-N 1 3 423.605 3.906 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(c4ccc(F)c(Cl)c4)C3)CC2)CC1 ZINC000500748053 1003935026 /nfs/dbraw/zinc/93/50/26/1003935026.db2.gz LDGZPQGQPRORBX-UHFFFAOYSA-N 1 3 422.976 3.583 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179618 1004081955 /nfs/dbraw/zinc/08/19/55/1004081955.db2.gz LWNIIRKMQJNJEU-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@H]1CN(CC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179618 1004081970 /nfs/dbraw/zinc/08/19/70/1004081970.db2.gz LWNIIRKMQJNJEU-SFTDATJTSA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179615 1004082170 /nfs/dbraw/zinc/08/21/70/1004082170.db2.gz LWNIIRKMQJNJEU-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179615 1004082180 /nfs/dbraw/zinc/08/21/80/1004082180.db2.gz LWNIIRKMQJNJEU-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)C[C@H](C)O1 ZINC000512179615 1004082186 /nfs/dbraw/zinc/08/21/86/1004082186.db2.gz LWNIIRKMQJNJEU-OYRHEFFESA-N 1 3 409.574 3.982 20 0 HHADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccccc3OCc3cccnc3)CC2)C[C@@H](C)O1 ZINC000512180537 1004082686 /nfs/dbraw/zinc/08/26/86/1004082686.db2.gz ANSROLWCIYRSKA-NHCUHLMSSA-N 1 3 409.574 3.982 20 0 HHADHO CC(C)N1CCN(CCC[N@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC000501036025 1004138906 /nfs/dbraw/zinc/13/89/06/1004138906.db2.gz MDXAKCCWEKOPCQ-UHFFFAOYSA-N 1 3 401.595 3.966 20 0 HHADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC000501036025 1004138911 /nfs/dbraw/zinc/13/89/11/1004138911.db2.gz MDXAKCCWEKOPCQ-UHFFFAOYSA-N 1 3 401.595 3.966 20 0 HHADHO CSc1ccc(CN(C)C(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501037603 1004141165 /nfs/dbraw/zinc/14/11/65/1004141165.db2.gz HIGYQNYTARBCNK-UHFFFAOYSA-N 1 3 412.603 3.610 20 0 HHADHO CC(C)CN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC[NH+](C)CC1 ZINC000512339706 1004227885 /nfs/dbraw/zinc/22/78/85/1004227885.db2.gz YZLQUDHXXOZQPS-OAQYLSRUSA-N 1 3 407.549 3.723 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172981 1004253770 /nfs/dbraw/zinc/25/37/70/1004253770.db2.gz JNSYTBJDUSLUMB-SFTDATJTSA-N 1 3 400.592 3.705 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000501172981 1004253778 /nfs/dbraw/zinc/25/37/78/1004253778.db2.gz JNSYTBJDUSLUMB-SFTDATJTSA-N 1 3 400.592 3.705 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388899 1004384904 /nfs/dbraw/zinc/38/49/04/1004384904.db2.gz VLDFUBDMDRFMSI-BLKABHOGSA-N 1 3 412.578 3.919 20 0 HHADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000501388899 1004384915 /nfs/dbraw/zinc/38/49/15/1004384915.db2.gz VLDFUBDMDRFMSI-BLKABHOGSA-N 1 3 412.578 3.919 20 0 HHADHO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000501397531 1004391578 /nfs/dbraw/zinc/39/15/78/1004391578.db2.gz UOGYBURNJQBPCE-UHFFFAOYSA-N 1 3 418.651 3.864 20 0 HHADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000501492947 1004464086 /nfs/dbraw/zinc/46/40/86/1004464086.db2.gz XTNZHITZKXITJE-ISKFKSNPSA-N 1 3 406.574 3.723 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653966 1004466475 /nfs/dbraw/zinc/46/64/75/1004466475.db2.gz IGSFBTJYMCQLSB-OEMFJLHTSA-N 1 3 408.542 3.629 20 0 HHADHO COC(=O)COc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512653966 1004466479 /nfs/dbraw/zinc/46/64/79/1004466479.db2.gz IGSFBTJYMCQLSB-OEMFJLHTSA-N 1 3 408.542 3.629 20 0 HHADHO COCC[N@H+](C)CCCC1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000501646356 1004573330 /nfs/dbraw/zinc/57/33/30/1004573330.db2.gz LAYCPMCUPGBMAK-UHFFFAOYSA-N 1 3 415.578 3.705 20 0 HHADHO COCC[N@@H+](C)CCCC1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000501646356 1004573337 /nfs/dbraw/zinc/57/33/37/1004573337.db2.gz LAYCPMCUPGBMAK-UHFFFAOYSA-N 1 3 415.578 3.705 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3csc4ccc(Cl)cc34)CC2)CC1 ZINC000501659824 1004580162 /nfs/dbraw/zinc/58/01/62/1004580162.db2.gz RXSPRUDQMKIDSA-UHFFFAOYSA-N 1 3 405.995 3.772 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000501753907 1004682920 /nfs/dbraw/zinc/68/29/20/1004682920.db2.gz DCNWKUHNJWFPPO-UHFFFAOYSA-N 1 3 408.590 3.776 20 0 HHADHO COc1cc(-c2ccccc2)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000512999357 1004752364 /nfs/dbraw/zinc/75/23/64/1004752364.db2.gz ZTNKHPXOHHDJJV-NOTZXAQLSA-N 1 3 407.558 3.535 20 0 HHADHO COc1cc(-c2ccccc2)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000512999357 1004752370 /nfs/dbraw/zinc/75/23/70/1004752370.db2.gz ZTNKHPXOHHDJJV-NOTZXAQLSA-N 1 3 407.558 3.535 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501823783 1004759249 /nfs/dbraw/zinc/75/92/49/1004759249.db2.gz GQMUHIXPHVUECL-XJUOHMSHSA-N 1 3 400.611 3.881 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000501823783 1004759253 /nfs/dbraw/zinc/75/92/53/1004759253.db2.gz GQMUHIXPHVUECL-XJUOHMSHSA-N 1 3 400.611 3.881 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000501846912 1004773404 /nfs/dbraw/zinc/77/34/04/1004773404.db2.gz BISRMFQAUFFFPF-HSZRJFAPSA-N 1 3 410.562 3.723 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N(C)C)cc1 ZINC000513346429 1004921406 /nfs/dbraw/zinc/92/14/06/1004921406.db2.gz VBQOLSVKAFZSAB-GMAHTHKFSA-N 1 3 400.611 3.615 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000513356786 1004924642 /nfs/dbraw/zinc/92/46/42/1004924642.db2.gz IHLQCMPYQVUPHN-CVDCTZTESA-N 1 3 402.627 3.860 20 0 HHADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511232958 1005084427 /nfs/dbraw/zinc/08/44/27/1005084427.db2.gz XBHDZXPFOXXHAW-TYPHKJRUSA-N 1 3 401.570 3.807 20 0 HHADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511232958 1005084433 /nfs/dbraw/zinc/08/44/33/1005084433.db2.gz XBHDZXPFOXXHAW-TYPHKJRUSA-N 1 3 401.570 3.807 20 0 HHADHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000513692306 1005084461 /nfs/dbraw/zinc/08/44/61/1005084461.db2.gz YYHAWTVUIDKVHO-GSPCLOLRSA-N 1 3 407.606 3.997 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502670605 1005171838 /nfs/dbraw/zinc/17/18/38/1005171838.db2.gz PRHGSMRVHBZHFS-UHFFFAOYSA-N 1 3 412.622 3.732 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000502863394 1005248562 /nfs/dbraw/zinc/24/85/62/1005248562.db2.gz QCAVKUNAHYDOPY-OFNKIYASSA-N 1 3 416.610 3.786 20 0 HHADHO COc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)N2CCCC2)cc1 ZINC000502863394 1005248566 /nfs/dbraw/zinc/24/85/66/1005248566.db2.gz QCAVKUNAHYDOPY-OFNKIYASSA-N 1 3 416.610 3.786 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000514082457 1005257310 /nfs/dbraw/zinc/25/73/10/1005257310.db2.gz HWSYBXMECFYDPU-VWLOTQADSA-N 1 3 420.601 3.828 20 0 HHADHO COc1cccc([C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000511646387 1005259762 /nfs/dbraw/zinc/25/97/62/1005259762.db2.gz GQNYPSBRUYYVGB-VWLOTQADSA-N 1 3 421.585 3.861 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)CC1 ZINC000503476025 1005432003 /nfs/dbraw/zinc/43/20/03/1005432003.db2.gz VMVOSQOGPOADFT-UPVQGACJSA-N 1 3 412.622 3.977 20 0 HHADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000514446077 1005994866 /nfs/dbraw/zinc/99/48/66/1005994866.db2.gz UOLIKXBLXQMTLG-DEOSSOPVSA-N 1 3 406.574 3.741 20 0 HHADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181162 1006169496 /nfs/dbraw/zinc/16/94/96/1006169496.db2.gz GSKNFKRPUXYISW-RPBOFIJWSA-N 1 3 423.601 3.531 20 0 HHADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000534181162 1006169501 /nfs/dbraw/zinc/16/95/01/1006169501.db2.gz GSKNFKRPUXYISW-RPBOFIJWSA-N 1 3 423.601 3.531 20 0 HHADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)CC1 ZINC000534408908 1006384134 /nfs/dbraw/zinc/38/41/34/1006384134.db2.gz FBBHZMWNRFFNTQ-IRLDBZIGSA-N 1 3 423.523 3.631 20 0 HHADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000531738799 1006389964 /nfs/dbraw/zinc/38/99/64/1006389964.db2.gz WNOCRKKEVCPRMT-KRWDZBQOSA-N 1 3 403.567 3.808 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759441 1006403349 /nfs/dbraw/zinc/40/33/49/1006403349.db2.gz RAPIRMHDEDVQMF-PKTZIBPZSA-N 1 3 410.558 3.742 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC000534448945 1006430536 /nfs/dbraw/zinc/43/05/36/1006430536.db2.gz YILIMHZIGDSINC-RPWUZVMVSA-N 1 3 412.622 3.833 20 0 HHADHO Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000515476572 1006489545 /nfs/dbraw/zinc/48/95/45/1006489545.db2.gz LYZZKUZNROPSAQ-FPOVZHCZSA-N 1 3 410.562 3.720 20 0 HHADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532103233 1006637096 /nfs/dbraw/zinc/63/70/96/1006637096.db2.gz QERRGZMUKZWTMP-NRFANRHFSA-N 1 3 414.619 3.726 20 0 HHADHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000534682825 1006662030 /nfs/dbraw/zinc/66/20/30/1006662030.db2.gz MVRJEQZEMJRUEK-ZEQRLZLVSA-N 1 3 406.574 3.917 20 0 HHADHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000534682823 1006662433 /nfs/dbraw/zinc/66/24/33/1006662433.db2.gz MVRJEQZEMJRUEK-DNQXCXABSA-N 1 3 406.574 3.917 20 0 HHADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183869 1006702993 /nfs/dbraw/zinc/70/29/93/1006702993.db2.gz UGBFYTOOXIBSIW-XUZZJYLKSA-N 1 3 412.622 3.797 20 0 HHADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000532183869 1006703002 /nfs/dbraw/zinc/70/30/02/1006703002.db2.gz UGBFYTOOXIBSIW-XUZZJYLKSA-N 1 3 412.622 3.797 20 0 HHADHO CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874119 1006729941 /nfs/dbraw/zinc/72/99/41/1006729941.db2.gz FDENRCGDCCAHII-DVECYGJZSA-N 1 3 410.558 3.651 20 0 HHADHO CC(=O)c1cccc(OC[C@@H](O)CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000515874119 1006729946 /nfs/dbraw/zinc/72/99/46/1006729946.db2.gz FDENRCGDCCAHII-DVECYGJZSA-N 1 3 410.558 3.651 20 0 HHADHO COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532225486 1006733113 /nfs/dbraw/zinc/73/31/13/1006733113.db2.gz XXNKJCKHMKENPH-QPPBQGQZSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532225486 1006733125 /nfs/dbraw/zinc/73/31/25/1006733125.db2.gz XXNKJCKHMKENPH-QPPBQGQZSA-N 1 3 407.558 3.560 20 0 HHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532504387 1006944433 /nfs/dbraw/zinc/94/44/33/1006944433.db2.gz WKXVSBIFNDSDSU-HZPDHXFCSA-N 1 3 413.484 3.513 20 0 HHADHO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532635574 1007056119 /nfs/dbraw/zinc/05/61/19/1007056119.db2.gz URMUAJCLSHXFBK-QFIPXVFZSA-N 1 3 422.573 3.797 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539060392 1007353726 /nfs/dbraw/zinc/35/37/26/1007353726.db2.gz SFGQSVOVFMBBGV-CDNPAEQRSA-N 1 3 416.610 3.979 20 0 HHADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539075735 1007367414 /nfs/dbraw/zinc/36/74/14/1007367414.db2.gz JWQZILSUTYWUGK-OAGGEKHMSA-N 1 3 401.364 3.998 20 0 HHADHO C[C@H]1CN(CCOC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000539150141 1007446315 /nfs/dbraw/zinc/44/63/15/1007446315.db2.gz WUXVXTCWTAAAKM-IRXDYDNUSA-N 1 3 411.384 3.539 20 0 HHADHO CC(C)[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539217537 1007508384 /nfs/dbraw/zinc/50/83/84/1007508384.db2.gz LQXLPBRZYWVZSL-HSZRJFAPSA-N 1 3 409.530 3.977 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000517541724 1007758488 /nfs/dbraw/zinc/75/84/88/1007758488.db2.gz RVQXURNJAXGKGQ-HYBUGGRVSA-N 1 3 406.574 3.917 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000539576610 1007892276 /nfs/dbraw/zinc/89/22/76/1007892276.db2.gz PLFDCUCPLRVQCQ-PMACEKPBSA-N 1 3 411.512 3.874 20 0 HHADHO Cc1nc(-c2cc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cs2)cs1 ZINC000539646791 1007963931 /nfs/dbraw/zinc/96/39/31/1007963931.db2.gz HJWUDUNQJSFUJQ-YOEHRIQHSA-N 1 3 408.637 3.923 20 0 HHADHO CC(C)C[C@H](N[C@@H]1CCCc2nc(-c3ccccc3)sc21)C(=O)NCC[NH+](C)C ZINC000539646781 1007964013 /nfs/dbraw/zinc/96/40/13/1007964013.db2.gz HBAKKBFUIDNKHC-QUCCMNQESA-N 1 3 414.619 3.870 20 0 HHADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000539651691 1007969466 /nfs/dbraw/zinc/96/94/66/1007969466.db2.gz RKSCIKTVOJFUOR-NLFFAJNJSA-N 1 3 408.590 3.608 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)CC1 ZINC000517920265 1008057534 /nfs/dbraw/zinc/05/75/34/1008057534.db2.gz NTUQHIHYVDGWRR-UHFFFAOYSA-N 1 3 420.601 3.957 20 0 HHADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000536096539 1008119273 /nfs/dbraw/zinc/11/92/73/1008119273.db2.gz TWIRPOZEOQKFGC-VWLOTQADSA-N 1 3 421.585 3.861 20 0 HHADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536100535 1008124693 /nfs/dbraw/zinc/12/46/93/1008124693.db2.gz VWNHIRNWKMZRRP-VWNXMTODSA-N 1 3 424.589 3.652 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)cc2)CC1 ZINC000518366536 1008277641 /nfs/dbraw/zinc/27/76/41/1008277641.db2.gz ZBFNZZNQPHACRJ-UHFFFAOYSA-N 1 3 424.589 3.800 20 0 HHADHO C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000540157102 1008315142 /nfs/dbraw/zinc/31/51/42/1008315142.db2.gz VOYZSKVOWOEZMW-YTJPUZGESA-N 1 3 415.965 3.903 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493458 1008453901 /nfs/dbraw/zinc/45/39/01/1008453901.db2.gz ADVQPOOQDCDIBF-PXNSSMCTSA-N 1 3 412.965 3.892 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@H](N[C@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493458 1008453904 /nfs/dbraw/zinc/45/39/04/1008453904.db2.gz ADVQPOOQDCDIBF-PXNSSMCTSA-N 1 3 412.965 3.892 20 0 HHADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c2ccccc21 ZINC000549142748 1008711111 /nfs/dbraw/zinc/71/11/11/1008711111.db2.gz NZXSLGLNOQQYPL-LOSJGSFVSA-N 1 3 421.585 3.705 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)[C@H]2c2cccc(OC)c2)CC1 ZINC000543190590 1008763833 /nfs/dbraw/zinc/76/38/33/1008763833.db2.gz UYSSWIRDEBVDFZ-AOYPEHQESA-N 1 3 421.585 3.826 20 0 HHADHO C[NH+](C)CCOc1cccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)c1 ZINC000545694368 1008787419 /nfs/dbraw/zinc/78/74/19/1008787419.db2.gz BVKCZUDGJRIEAQ-UHFFFAOYSA-N 1 3 424.570 3.893 20 0 HHADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000519500230 1008870836 /nfs/dbraw/zinc/87/08/36/1008870836.db2.gz VWWJEMDMIJGILW-NRFANRHFSA-N 1 3 402.970 3.716 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520111930 1009267947 /nfs/dbraw/zinc/26/79/47/1009267947.db2.gz MMKWHELHIVQRSA-RZUBCFFCSA-N 1 3 403.586 3.912 20 0 HHADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000520111930 1009267965 /nfs/dbraw/zinc/26/79/65/1009267965.db2.gz MMKWHELHIVQRSA-RZUBCFFCSA-N 1 3 403.586 3.912 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775955 1009344790 /nfs/dbraw/zinc/34/47/90/1009344790.db2.gz SJMTUURQWDAFJF-UTKZUKDTSA-N 1 3 414.546 3.520 20 0 HHADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000543775955 1009344808 /nfs/dbraw/zinc/34/48/08/1009344808.db2.gz SJMTUURQWDAFJF-UTKZUKDTSA-N 1 3 414.546 3.520 20 0 HHADHO C[NH+](C)CCOc1ccccc1-c1noc(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000546401660 1009416399 /nfs/dbraw/zinc/41/63/99/1009416399.db2.gz HOCUBFRUXUXNDS-UHFFFAOYSA-N 1 3 424.570 3.893 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040031 1009641831 /nfs/dbraw/zinc/64/18/31/1009641831.db2.gz TXYXZIUXUQOLQY-MOPGFXCFSA-N 1 3 414.594 3.710 20 0 HHADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040031 1009641841 /nfs/dbraw/zinc/64/18/41/1009641841.db2.gz TXYXZIUXUQOLQY-MOPGFXCFSA-N 1 3 414.594 3.710 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000520616591 1009692572 /nfs/dbraw/zinc/69/25/72/1009692572.db2.gz KMJDJECDEJZFBO-UHFFFAOYSA-N 1 3 414.516 3.653 20 0 HHADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000520616591 1009692583 /nfs/dbraw/zinc/69/25/83/1009692583.db2.gz KMJDJECDEJZFBO-UHFFFAOYSA-N 1 3 414.516 3.653 20 0 HHADHO Cc1ccc(CCC[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000544147011 1009755881 /nfs/dbraw/zinc/75/58/81/1009755881.db2.gz YGGODBGXIXHYSH-UHFFFAOYSA-N 1 3 407.602 3.888 20 0 HHADHO COc1ccccc1C1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000550287518 1009833655 /nfs/dbraw/zinc/83/36/55/1009833655.db2.gz VQBCAQUEFXFSDF-UHFFFAOYSA-N 1 3 413.606 3.572 20 0 HHADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000521068612 1010085614 /nfs/dbraw/zinc/08/56/14/1010085614.db2.gz BOJLBPKXDURRHQ-UHFFFAOYSA-N 1 3 410.553 3.550 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000521070351 1010087288 /nfs/dbraw/zinc/08/72/88/1010087288.db2.gz QVNMWQYQHJIIBY-QHCPKHFHSA-N 1 3 412.553 3.564 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000521180178 1010212577 /nfs/dbraw/zinc/21/25/77/1010212577.db2.gz NIJNCCOXJPKKAB-UHFFFAOYSA-N 1 3 420.601 3.866 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)cc1 ZINC000521509397 1010423694 /nfs/dbraw/zinc/42/36/94/1010423694.db2.gz CAXBREXZYUGFTN-BJKOFHAPSA-N 1 3 424.589 3.743 20 0 HHADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547827842 1010441049 /nfs/dbraw/zinc/44/10/49/1010441049.db2.gz IKFIANIAKSHWSE-DSKINZAPSA-N 1 3 422.491 3.945 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000521685631 1010550379 /nfs/dbraw/zinc/55/03/79/1010550379.db2.gz ATEQVKYZMAEXQD-PMACEKPBSA-N 1 3 406.590 3.657 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000521816097 1010637400 /nfs/dbraw/zinc/63/74/00/1010637400.db2.gz JNQALMMFMQBJPN-IBGZPJMESA-N 1 3 407.562 3.556 20 0 HHADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)CC3 ZINC000545189484 1010678070 /nfs/dbraw/zinc/67/80/70/1010678070.db2.gz ONHFRTNHAVPRQQ-OAQYLSRUSA-N 1 3 418.585 3.571 20 0 HHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000522048222 1010777549 /nfs/dbraw/zinc/77/75/49/1010777549.db2.gz IHLILJFRMAMJKO-IWUGNULFSA-N 1 3 418.585 3.756 20 0 HHADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000522048222 1010777556 /nfs/dbraw/zinc/77/75/56/1010777556.db2.gz IHLILJFRMAMJKO-IWUGNULFSA-N 1 3 418.585 3.756 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088612 1010802256 /nfs/dbraw/zinc/80/22/56/1010802256.db2.gz RQAKVUOBNUXRDY-GHTZIAJQSA-N 1 3 400.592 3.562 20 0 HHADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000522088612 1010802263 /nfs/dbraw/zinc/80/22/63/1010802263.db2.gz RQAKVUOBNUXRDY-GHTZIAJQSA-N 1 3 400.592 3.562 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829279 1011264998 /nfs/dbraw/zinc/26/49/98/1011264998.db2.gz HGJLRLRKLZNVCW-BWKNWUBXSA-N 1 3 420.601 3.842 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)C3)cc2)C1 ZINC000522829279 1011265014 /nfs/dbraw/zinc/26/50/14/1011265014.db2.gz HGJLRLRKLZNVCW-BWKNWUBXSA-N 1 3 420.601 3.842 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCCCCC3)cc2)CC1 ZINC000522834180 1011271274 /nfs/dbraw/zinc/27/12/74/1011271274.db2.gz OEDASKSWUUGGLM-UHFFFAOYSA-N 1 3 400.611 3.601 20 0 HHADHO CC1CC[NH+](Cc2cccc(CNC(=O)CC3(N4CCOCC4)CCCC3)c2)CC1 ZINC000522853523 1011294054 /nfs/dbraw/zinc/29/40/54/1011294054.db2.gz MNLPGVAEORXSQU-UHFFFAOYSA-N 1 3 413.606 3.570 20 0 HHADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000523064861 1011534240 /nfs/dbraw/zinc/53/42/40/1011534240.db2.gz WMFXCQCXBWAEJB-JOCHJYFZSA-N 1 3 419.491 3.819 20 0 HHADHO CCCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000523134274 1011603749 /nfs/dbraw/zinc/60/37/49/1011603749.db2.gz WQUXBZLCXLTWNG-GMAHTHKFSA-N 1 3 400.611 3.805 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991773 1011625120 /nfs/dbraw/zinc/62/51/20/1011625120.db2.gz KMKKEUCSBJFLKA-WIYYLYMNSA-N 1 3 406.448 3.929 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000540991773 1011625132 /nfs/dbraw/zinc/62/51/32/1011625132.db2.gz KMKKEUCSBJFLKA-WIYYLYMNSA-N 1 3 406.448 3.929 20 0 HHADHO CCOCc1cc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000536663810 1011814620 /nfs/dbraw/zinc/81/46/20/1011814620.db2.gz WSIKFPZBJXSFDR-PMACEKPBSA-N 1 3 404.595 3.943 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1 ZINC000523338271 1011815587 /nfs/dbraw/zinc/81/55/87/1011815587.db2.gz TVVZDJLMKRWVRQ-UHFFFAOYSA-N 1 3 422.617 3.989 20 0 HHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523340137 1011817680 /nfs/dbraw/zinc/81/76/80/1011817680.db2.gz HMQKRUOWPCXOSJ-XMMPIXPASA-N 1 3 408.590 3.664 20 0 HHADHO CCOc1ccccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000536678573 1011841968 /nfs/dbraw/zinc/84/19/68/1011841968.db2.gz HLLFZSSZDQSLEO-UHFFFAOYSA-N 1 3 409.574 3.546 20 0 HHADHO COCCCOc1cccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000536710900 1011883690 /nfs/dbraw/zinc/88/36/90/1011883690.db2.gz UMSKWCLHYHJLKY-NHCUHLMSSA-N 1 3 404.595 3.813 20 0 HHADHO Cc1ccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000523445355 1011939846 /nfs/dbraw/zinc/93/98/46/1011939846.db2.gz GXWPMZSHZPIYDH-FPOVZHCZSA-N 1 3 410.562 3.892 20 0 HHADHO CCc1ccc(C2=CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)cc1 ZINC000536763973 1011964253 /nfs/dbraw/zinc/96/42/53/1011964253.db2.gz SEUQLKPBSUYOPW-UHFFFAOYSA-N 1 3 410.606 3.606 20 0 HHADHO C[C@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000523472956 1011982459 /nfs/dbraw/zinc/98/24/59/1011982459.db2.gz HWCHDBTWTKYHHI-XUZZJYLKSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000523472956 1011982472 /nfs/dbraw/zinc/98/24/72/1011982472.db2.gz HWCHDBTWTKYHHI-XUZZJYLKSA-N 1 3 408.590 3.813 20 0 HHADHO C[C@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536854025 1012086122 /nfs/dbraw/zinc/08/61/22/1012086122.db2.gz XDWKAZNOZGHAKF-WMZOPIPTSA-N 1 3 401.938 3.737 20 0 HHADHO C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278114 1012291343 /nfs/dbraw/zinc/29/13/43/1012291343.db2.gz TURMUWLKRLXYCI-XXBNENTESA-N 1 3 409.574 3.863 20 0 HHADHO C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000552278114 1012291361 /nfs/dbraw/zinc/29/13/61/1012291361.db2.gz TURMUWLKRLXYCI-XXBNENTESA-N 1 3 409.574 3.863 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000552365596 1012375824 /nfs/dbraw/zinc/37/58/24/1012375824.db2.gz JXMKCBCKCLRFQL-ILWGZMRPSA-N 1 3 417.544 3.619 20 0 HHADHO O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000552365596 1012375835 /nfs/dbraw/zinc/37/58/35/1012375835.db2.gz JXMKCBCKCLRFQL-ILWGZMRPSA-N 1 3 417.544 3.619 20 0 HHADHO CN1CC[NH+](CC2(C)CCN(Cc3ccccc3OCc3cccnc3)CC2)CC1 ZINC000541759931 1012622201 /nfs/dbraw/zinc/62/22/01/1012622201.db2.gz YJCLPMKCTDOUPN-UHFFFAOYSA-N 1 3 408.590 3.510 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000913459241 1072391797 /nfs/dbraw/zinc/39/17/97/1072391797.db2.gz ZHWZXTAPWIDQAM-UHFFFAOYSA-N 1 3 421.589 3.615 20 0 HHADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCOc1ccc(Br)cc1 ZINC001168285026 1072424385 /nfs/dbraw/zinc/42/43/85/1072424385.db2.gz QIQGEMHIBVZHOK-MISYRCLQSA-N 1 3 411.384 3.792 20 0 HHADHO C[C@H](CN1CCOCC1)C[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340387 1072518764 /nfs/dbraw/zinc/51/87/64/1072518764.db2.gz VLRASDMJBNBZBB-SFHVURJKSA-N 1 3 413.528 3.570 20 0 HHADHO C[C@H](CN1CCOCC1)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340387 1072518776 /nfs/dbraw/zinc/51/87/76/1072518776.db2.gz VLRASDMJBNBZBB-SFHVURJKSA-N 1 3 413.528 3.570 20 0 HHADHO C[C@H](CN1CCOCC1)CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001168340387 1072518780 /nfs/dbraw/zinc/51/87/80/1072518780.db2.gz VLRASDMJBNBZBB-SFHVURJKSA-N 1 3 413.528 3.570 20 0 HHADHO Fc1cccnc1N1CC[C@@]2(C1)C[N@@H+](C1CCN(CC3CC3)CC1)CCC2(F)F ZINC001168379258 1072656890 /nfs/dbraw/zinc/65/68/90/1072656890.db2.gz GCQTXPJNYDKSTE-NRFANRHFSA-N 1 3 408.512 3.633 20 0 HHADHO Fc1cccnc1N1CC[C@@]2(C1)C[N@H+](C1CCN(CC3CC3)CC1)CCC2(F)F ZINC001168379258 1072656900 /nfs/dbraw/zinc/65/69/00/1072656900.db2.gz GCQTXPJNYDKSTE-NRFANRHFSA-N 1 3 408.512 3.633 20 0 HHADHO Cc1cc2[nH]c(CNCc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)cc2c(C)c1 ZINC000479380900 1072789866 /nfs/dbraw/zinc/78/98/66/1072789866.db2.gz ONVDDSAUDPRBNK-UHFFFAOYSA-N 1 3 404.558 3.900 20 0 HHADHO C[C@H]1C[NH+](CC2CCN(CCOc3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000588711371 1073157140 /nfs/dbraw/zinc/15/71/40/1073157140.db2.gz ONLRONILFDSQQU-IRXDYDNUSA-N 1 3 400.485 3.905 20 0 HHADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c2cccs2)CC1 ZINC000591542079 1074377428 /nfs/dbraw/zinc/37/74/28/1074377428.db2.gz VMYIKPOHVYOFSA-UXHICEINSA-N 1 3 404.624 3.791 20 0 HHADHO O=C(N1CCC[C@H]([NH+]2CCCC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000593829941 1075229311 /nfs/dbraw/zinc/22/93/11/1075229311.db2.gz GDVRIJRWALGJFO-PZJWPPBQSA-N 1 3 409.496 3.528 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000575208287 1075485761 /nfs/dbraw/zinc/48/57/61/1075485761.db2.gz CYKGSOYNRPGLOH-QHCPKHFHSA-N 1 3 418.626 3.838 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)N(C)C)cc1 ZINC000575208287 1075485764 /nfs/dbraw/zinc/48/57/64/1075485764.db2.gz CYKGSOYNRPGLOH-QHCPKHFHSA-N 1 3 418.626 3.838 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019582 721802492 /nfs/dbraw/zinc/80/24/92/721802492.db2.gz DCZLQIYYLYKKQC-NNWRFLSQSA-N 1 3 406.578 3.517 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165019582 721802494 /nfs/dbraw/zinc/80/24/94/721802494.db2.gz DCZLQIYYLYKKQC-NNWRFLSQSA-N 1 3 406.578 3.517 20 0 HHADHO C[NH+]1CCC(N2CCC(Nc3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)CC1 ZINC000301391328 970904727 /nfs/dbraw/zinc/90/47/27/970904727.db2.gz AVRFVDUVCZOWLW-UHFFFAOYSA-N 1 3 420.483 3.528 20 0 HHADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000542152171 1013088007 /nfs/dbraw/zinc/08/80/07/1013088007.db2.gz JOISHIRTNYQRQZ-HNNXBMFYSA-N 1 3 400.567 3.651 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623163 1013170934 /nfs/dbraw/zinc/17/09/34/1013170934.db2.gz YTQOQDDPPAEMHV-HXUWFJFHSA-N 1 3 401.595 3.630 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000537623163 1013170945 /nfs/dbraw/zinc/17/09/45/1013170945.db2.gz YTQOQDDPPAEMHV-HXUWFJFHSA-N 1 3 401.595 3.630 20 0 HHADHO COc1c(C)cc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1C ZINC000537631262 1013184092 /nfs/dbraw/zinc/18/40/92/1013184092.db2.gz PYNDOLHJZHQUTB-UHFFFAOYSA-N 1 3 423.601 3.772 20 0 HHADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843675 1013406760 /nfs/dbraw/zinc/40/67/60/1013406760.db2.gz SNSMOTRRWAKRJJ-IBGZPJMESA-N 1 3 412.553 3.506 20 0 HHADHO Cc1ccc(NC(=O)NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000537845766 1013410761 /nfs/dbraw/zinc/41/07/61/1013410761.db2.gz MSIWIFXXRVXRLR-UHFFFAOYSA-N 1 3 423.561 3.585 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000051241138 964503973 /nfs/dbraw/zinc/50/39/73/964503973.db2.gz MUJQAXIDDAQRSU-OAHLLOKOSA-N 1 3 412.500 3.624 20 0 HHADHO CCc1ccc([C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759359 964690121 /nfs/dbraw/zinc/69/01/21/964690121.db2.gz YXUUDZZCOPVBTD-QHCPKHFHSA-N 1 3 400.611 3.804 20 0 HHADHO OC[C@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000537961119 1013540700 /nfs/dbraw/zinc/54/07/00/1013540700.db2.gz XLKDNVSNIPLIAX-KRWDZBQOSA-N 1 3 400.485 3.733 20 0 HHADHO OC[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000537961119 1013540710 /nfs/dbraw/zinc/54/07/10/1013540710.db2.gz XLKDNVSNIPLIAX-KRWDZBQOSA-N 1 3 400.485 3.733 20 0 HHADHO C[C@@H](N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975617 1013551891 /nfs/dbraw/zinc/55/18/91/1013551891.db2.gz WMWYMRQZYBDNMC-AEFFLSMTSA-N 1 3 401.938 3.737 20 0 HHADHO CC(C)(CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000061793467 966557397 /nfs/dbraw/zinc/55/73/97/966557397.db2.gz GVOHLHXWSYIARY-UHFFFAOYSA-N 1 3 404.624 3.664 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062487533 966689387 /nfs/dbraw/zinc/68/93/87/966689387.db2.gz QVNMWQYQHJIIBY-HSZRJFAPSA-N 1 3 412.553 3.564 20 0 HHADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000062528451 966698315 /nfs/dbraw/zinc/69/83/15/966698315.db2.gz HMJDYRHHPSHCER-UHFFFAOYSA-N 1 3 404.599 3.706 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)c(C)c2)CC1 ZINC000043521475 966990593 /nfs/dbraw/zinc/99/05/93/966990593.db2.gz ISKRTHXUQGTVEB-UHFFFAOYSA-N 1 3 409.578 3.520 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)c2)CC1 ZINC000043523174 966991497 /nfs/dbraw/zinc/99/14/97/966991497.db2.gz AZGQPTQGSSVSDI-UHFFFAOYSA-N 1 3 401.599 3.568 20 0 HHADHO CCN1CCN(c2ccc(C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)cc2)CC1 ZINC000538232382 1013780576 /nfs/dbraw/zinc/78/05/76/1013780576.db2.gz BWCZHMWZOJDCRG-UHFFFAOYSA-N 1 3 406.574 3.718 20 0 HHADHO CCN1CCN(c2ccc(C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)cc2)CC1 ZINC000538232382 1013780583 /nfs/dbraw/zinc/78/05/83/1013780583.db2.gz BWCZHMWZOJDCRG-UHFFFAOYSA-N 1 3 406.574 3.718 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000065742316 968620753 /nfs/dbraw/zinc/62/07/53/968620753.db2.gz XPPOOKCOPPBOQG-UHFFFAOYSA-N 1 3 420.601 3.611 20 0 HHADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000065976490 968747001 /nfs/dbraw/zinc/74/70/01/968747001.db2.gz VYSQPLQFLDVVJK-UHFFFAOYSA-N 1 3 406.530 3.978 20 0 HHADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000065976490 968747012 /nfs/dbraw/zinc/74/70/12/968747012.db2.gz VYSQPLQFLDVVJK-UHFFFAOYSA-N 1 3 406.530 3.978 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@@H](NCCc1nnc(-c3ccccc3)o1)c1ccccc1O2 ZINC000538292722 1013827940 /nfs/dbraw/zinc/82/79/40/1013827940.db2.gz ALFPUDBILSTEHW-HXUWFJFHSA-N 1 3 404.514 3.857 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCc1nnc(-c3ccccc3)o1)c1ccccc1O2 ZINC000538292722 1013827947 /nfs/dbraw/zinc/82/79/47/1013827947.db2.gz ALFPUDBILSTEHW-HXUWFJFHSA-N 1 3 404.514 3.857 20 0 HHADHO Cc1nc(-c2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2)oc1C ZINC000141286833 970107727 /nfs/dbraw/zinc/10/77/27/970107727.db2.gz GGZUVPZRFJKUAR-UHFFFAOYSA-N 1 3 411.550 3.639 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236819610 970176672 /nfs/dbraw/zinc/17/66/72/970176672.db2.gz JZAXAVXMERYUDN-QHCPKHFHSA-N 1 3 409.574 3.516 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000236866262 970182026 /nfs/dbraw/zinc/18/20/26/970182026.db2.gz PPJVELHZMQLFHY-JXFKEZNVSA-N 1 3 423.395 3.952 20 0 HHADHO CCn1cc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000237019672 970208086 /nfs/dbraw/zinc/20/80/86/970208086.db2.gz IKLHIYBHMRLABN-UHFFFAOYSA-N 1 3 409.500 3.614 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(SC(F)(F)F)cc2)cc1 ZINC000237172969 970236102 /nfs/dbraw/zinc/23/61/02/970236102.db2.gz LTOYSFOIPWRSKJ-UHFFFAOYSA-N 1 3 411.493 3.880 20 0 HHADHO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237403796 970278295 /nfs/dbraw/zinc/27/82/95/970278295.db2.gz PCJHEHXABYOZDC-HZPDHXFCSA-N 1 3 408.949 3.952 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 ZINC000237404392 970278953 /nfs/dbraw/zinc/27/89/53/970278953.db2.gz DZQOYDMHMVTMKY-IAGOWNOFSA-N 1 3 410.484 3.870 20 0 HHADHO COc1ccc2cc(CNCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469880 970293712 /nfs/dbraw/zinc/29/37/12/970293712.db2.gz KLOXHRILGYRSDV-XMMPIXPASA-N 1 3 417.553 3.836 20 0 HHADHO COc1ccc2cc(CNCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469880 970293715 /nfs/dbraw/zinc/29/37/15/970293715.db2.gz KLOXHRILGYRSDV-XMMPIXPASA-N 1 3 417.553 3.836 20 0 HHADHO COc1ccc2cc(CNCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469913 970294583 /nfs/dbraw/zinc/29/45/83/970294583.db2.gz KLOXHRILGYRSDV-DEOSSOPVSA-N 1 3 417.553 3.836 20 0 HHADHO COc1ccc2cc(CNCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)ccc2c1 ZINC000237469913 970294589 /nfs/dbraw/zinc/29/45/89/970294589.db2.gz KLOXHRILGYRSDV-DEOSSOPVSA-N 1 3 417.553 3.836 20 0 HHADHO O=c1[nH]c2ccccc2cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000238163281 970453708 /nfs/dbraw/zinc/45/37/08/970453708.db2.gz SMLHESVXRGVSNR-UHFFFAOYSA-N 1 3 404.558 3.628 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000255958487 970611259 /nfs/dbraw/zinc/61/12/59/970611259.db2.gz XWGUUOPZAGNVJO-UGKGYDQZSA-N 1 3 416.610 3.642 20 0 HHADHO COc1cccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)N2CCCC2)c1 ZINC000255958487 970611262 /nfs/dbraw/zinc/61/12/62/970611262.db2.gz XWGUUOPZAGNVJO-UGKGYDQZSA-N 1 3 416.610 3.642 20 0 HHADHO C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381303943 972780712 /nfs/dbraw/zinc/78/07/12/972780712.db2.gz BHEAXQRKRQPIAP-NBHGPNQESA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@@H](O)c1cccc(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381303943 972780717 /nfs/dbraw/zinc/78/07/17/972780717.db2.gz BHEAXQRKRQPIAP-NBHGPNQESA-N 1 3 403.364 3.983 20 0 HHADHO C[C@H](NC[C@@H](O)c1cccc(Br)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381303943 972780724 /nfs/dbraw/zinc/78/07/24/972780724.db2.gz BHEAXQRKRQPIAP-NBHGPNQESA-N 1 3 403.364 3.983 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000398164277 972878212 /nfs/dbraw/zinc/87/82/12/972878212.db2.gz SRXLERZEWMWTEX-TYCQWZJGSA-N 1 3 403.364 3.983 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc(Br)c1 ZINC000398164277 972878221 /nfs/dbraw/zinc/87/82/21/972878221.db2.gz SRXLERZEWMWTEX-TYCQWZJGSA-N 1 3 403.364 3.983 20 0 HHADHO Cc1nc2ccc(CN3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)cc2s1 ZINC000426419230 974439766 /nfs/dbraw/zinc/43/97/66/974439766.db2.gz HYOWQKRUXJLFOG-UHFFFAOYSA-N 1 3 402.608 3.521 20 0 HHADHO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426769392 974645840 /nfs/dbraw/zinc/64/58/40/974645840.db2.gz ILXBTJANDXYMPU-ROUUACIJSA-N 1 3 405.558 3.674 20 0 HHADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426830483 974695968 /nfs/dbraw/zinc/69/59/68/974695968.db2.gz YMBRBDHFIOOISK-FKBYEOEOSA-N 1 3 415.622 3.553 20 0 HHADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792902 978516691 /nfs/dbraw/zinc/51/66/91/978516691.db2.gz XVPILSSJNSRRBZ-GUDVDZBRSA-N 1 3 411.512 3.849 20 0 HHADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792902 978516695 /nfs/dbraw/zinc/51/66/95/978516695.db2.gz XVPILSSJNSRRBZ-GUDVDZBRSA-N 1 3 411.512 3.849 20 0 HHADHO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792903 978516762 /nfs/dbraw/zinc/51/67/62/978516762.db2.gz XVPILSSJNSRRBZ-QRVBRYPASA-N 1 3 411.512 3.849 20 0 HHADHO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000431792903 978516773 /nfs/dbraw/zinc/51/67/73/978516773.db2.gz XVPILSSJNSRRBZ-QRVBRYPASA-N 1 3 411.512 3.849 20 0 HHADHO Nc1ccc(F)c(NC(=O)CCN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000435028412 980581923 /nfs/dbraw/zinc/58/19/23/980581923.db2.gz UTXVFZCXOIPKPM-DEOSSOPVSA-N 1 3 410.537 3.725 20 0 HHADHO Nc1ccc(F)c(NC(=O)CCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000435028412 980581930 /nfs/dbraw/zinc/58/19/30/980581930.db2.gz UTXVFZCXOIPKPM-DEOSSOPVSA-N 1 3 410.537 3.725 20 0 HHADHO Cc1nc2cc(Cl)c(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2s1 ZINC000435189172 980708212 /nfs/dbraw/zinc/70/82/12/980708212.db2.gz SGSWIBQFFFFQRF-UHFFFAOYSA-N 1 3 421.998 3.938 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521263 980916938 /nfs/dbraw/zinc/91/69/38/980916938.db2.gz GJKPJZOGXPMARF-FCEUIQTBSA-N 1 3 424.593 3.585 20 0 HHADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435521263 980916940 /nfs/dbraw/zinc/91/69/40/980916940.db2.gz GJKPJZOGXPMARF-FCEUIQTBSA-N 1 3 424.593 3.585 20 0 HHADHO Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435526398 980920413 /nfs/dbraw/zinc/92/04/13/980920413.db2.gz HTJJEDAMVGUNEQ-QFIPXVFZSA-N 1 3 424.593 3.633 20 0 HHADHO Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435527373 980921558 /nfs/dbraw/zinc/92/15/58/980921558.db2.gz LRDQCGSZHUOHBL-QFIPXVFZSA-N 1 3 424.593 3.634 20 0 HHADHO Cc1cc(NC(=O)NCC[N@H+](C)C2CCCC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435527373 980921565 /nfs/dbraw/zinc/92/15/65/980921565.db2.gz LRDQCGSZHUOHBL-QFIPXVFZSA-N 1 3 424.593 3.634 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435532020 980925354 /nfs/dbraw/zinc/92/53/54/980925354.db2.gz CVYSDTRZCMBWEA-YADHBBJMSA-N 1 3 424.593 3.587 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435532020 980925357 /nfs/dbraw/zinc/92/53/57/980925357.db2.gz CVYSDTRZCMBWEA-YADHBBJMSA-N 1 3 424.593 3.587 20 0 HHADHO c1cc(-c2n[nH]cc2C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cs1 ZINC000436276206 981281151 /nfs/dbraw/zinc/28/11/51/981281151.db2.gz RJDVVHFHBVBRID-UHFFFAOYSA-N 1 3 409.603 3.826 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222936 981637548 /nfs/dbraw/zinc/63/75/48/981637548.db2.gz AUVBMMRQHOIHNX-NRFANRHFSA-N 1 3 415.626 3.626 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)c(C)c2)CC1 ZINC000448222936 981637553 /nfs/dbraw/zinc/63/75/53/981637553.db2.gz AUVBMMRQHOIHNX-NRFANRHFSA-N 1 3 415.626 3.626 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448466111 981801192 /nfs/dbraw/zinc/80/11/92/981801192.db2.gz MIGILULBEDXFGB-MISYRCLQSA-N 1 3 402.608 3.543 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448466111 981801204 /nfs/dbraw/zinc/80/12/04/981801204.db2.gz MIGILULBEDXFGB-MISYRCLQSA-N 1 3 402.608 3.543 20 0 HHADHO COc1ccc(OC(C)C)c(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000438028851 982533431 /nfs/dbraw/zinc/53/34/31/982533431.db2.gz UHYPUSIEIFCEQA-UHFFFAOYSA-N 1 3 418.582 3.554 20 0 HHADHO C[C@@H](CSCc1ccccc1)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000438542800 982880947 /nfs/dbraw/zinc/88/09/47/982880947.db2.gz VSGJGMDCVCGKTA-FQEVSTJZSA-N 1 3 403.636 3.622 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439196526 983304732 /nfs/dbraw/zinc/30/47/32/983304732.db2.gz GOJHJWHXNQLCOQ-HXUWFJFHSA-N 1 3 423.605 3.900 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1(C)C ZINC000441337682 984193558 /nfs/dbraw/zinc/19/35/58/984193558.db2.gz BPQQWOREFNAHSG-UHFFFAOYSA-N 1 3 423.630 3.776 20 0 HHADHO CN1CCN(CC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1(C)C ZINC000441368294 984212765 /nfs/dbraw/zinc/21/27/65/984212765.db2.gz SGBNEYPQNVBFNH-UHFFFAOYSA-N 1 3 414.981 3.708 20 0 HHADHO Cc1cccc(N2CCN(CCC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CC2)c1 ZINC000461877950 984902286 /nfs/dbraw/zinc/90/22/86/984902286.db2.gz WXOUDMMJSVAIDB-UHFFFAOYSA-N 1 3 422.617 3.664 20 0 HHADHO Cc1cccc(N2CCN(CCC(=O)NCc3ccccc3C[N@H+](C)C(C)C)CC2)c1 ZINC000461877950 984902293 /nfs/dbraw/zinc/90/22/93/984902293.db2.gz WXOUDMMJSVAIDB-UHFFFAOYSA-N 1 3 422.617 3.664 20 0 HHADHO CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000462196320 985178755 /nfs/dbraw/zinc/17/87/55/985178755.db2.gz PLUYGUNKOMSGOO-ISKFKSNPSA-N 1 3 412.622 3.804 20 0 HHADHO CN1CCN(CC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1(C)C ZINC000442872893 985253742 /nfs/dbraw/zinc/25/37/42/985253742.db2.gz JGAHADKFBITWNC-UHFFFAOYSA-N 1 3 401.545 3.734 20 0 HHADHO COc1ccc(C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccc(OC)cc2)cc1 ZINC000442878674 985255736 /nfs/dbraw/zinc/25/57/36/985255736.db2.gz UITGMPCGRYKAQQ-XMMPIXPASA-N 1 3 411.590 3.603 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532004 985480480 /nfs/dbraw/zinc/48/04/80/985480480.db2.gz XZPJQMQMJKICHY-RDPSFJRHSA-N 1 3 406.574 3.602 20 0 HHADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462532002 985480664 /nfs/dbraw/zinc/48/06/64/985480664.db2.gz XZPJQMQMJKICHY-GBXCKJPGSA-N 1 3 406.574 3.602 20 0 HHADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000468060802 985719151 /nfs/dbraw/zinc/71/91/51/985719151.db2.gz SRIXPSLLVNFFJJ-YTFSRNRJSA-N 1 3 409.574 3.988 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133849 986100279 /nfs/dbraw/zinc/10/02/79/986100279.db2.gz WCYHTCRCEPRQHI-PTUXOGIPSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133849 986100291 /nfs/dbraw/zinc/10/02/91/986100291.db2.gz WCYHTCRCEPRQHI-PTUXOGIPSA-N 1 3 411.590 3.949 20 0 HHADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N(C)C)cc1OC ZINC000463133849 986100298 /nfs/dbraw/zinc/10/02/98/986100298.db2.gz WCYHTCRCEPRQHI-PTUXOGIPSA-N 1 3 411.590 3.949 20 0 HHADHO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1)C1CC1 ZINC000444464105 986646338 /nfs/dbraw/zinc/64/63/38/986646338.db2.gz ZLRJERTXKOQNLL-UHFFFAOYSA-N 1 3 407.558 3.880 20 0 HHADHO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1)C1CC1 ZINC000444464105 986646340 /nfs/dbraw/zinc/64/63/40/986646340.db2.gz ZLRJERTXKOQNLL-UHFFFAOYSA-N 1 3 407.558 3.880 20 0 HHADHO COc1ccc(Cn2nc(C)c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c2C)cc1 ZINC000463736359 986722555 /nfs/dbraw/zinc/72/25/55/986722555.db2.gz OJIGXFFXECYXCC-KDURUIRLSA-N 1 3 414.594 3.536 20 0 HHADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000444543193 986733038 /nfs/dbraw/zinc/73/30/38/986733038.db2.gz JAQLUAMJFSKCBY-XMMPIXPASA-N 1 3 421.585 3.742 20 0 HHADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000444543193 986733044 /nfs/dbraw/zinc/73/30/44/986733044.db2.gz JAQLUAMJFSKCBY-XMMPIXPASA-N 1 3 421.585 3.742 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469367776 987065288 /nfs/dbraw/zinc/06/52/88/987065288.db2.gz QRWANKLCHBLQOJ-UHFFFAOYSA-N 1 3 422.617 3.617 20 0 HHADHO CCOc1cc(Cl)ccc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000469663832 987320921 /nfs/dbraw/zinc/32/09/21/987320921.db2.gz SGLRCFGDYPRAII-UHFFFAOYSA-N 1 3 408.974 3.811 20 0 HHADHO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469760153 987413631 /nfs/dbraw/zinc/41/36/31/987413631.db2.gz HMLMSIRPLMLHKR-WGMWDUQUSA-N 1 3 413.528 3.780 20 0 HHADHO Fc1cc(Br)cc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000445815429 987877714 /nfs/dbraw/zinc/87/77/14/987877714.db2.gz KPODSVDFXQLDSX-UHFFFAOYSA-N 1 3 415.347 3.544 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721912 988747783 /nfs/dbraw/zinc/74/77/83/988747783.db2.gz DKPGWNBOOJNERT-DNQXCXABSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721912 988747785 /nfs/dbraw/zinc/74/77/85/988747785.db2.gz DKPGWNBOOJNERT-DNQXCXABSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721914 988747864 /nfs/dbraw/zinc/74/78/64/988747864.db2.gz DKPGWNBOOJNERT-ZEQRLZLVSA-N 1 3 408.590 3.904 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000470721914 988747865 /nfs/dbraw/zinc/74/78/65/988747865.db2.gz DKPGWNBOOJNERT-ZEQRLZLVSA-N 1 3 408.590 3.904 20 0 HHADHO CN(CCNC(=O)C1CC[NH+](CCc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000471238594 989383882 /nfs/dbraw/zinc/38/38/82/989383882.db2.gz VLGLOSGNYCVTHP-UHFFFAOYSA-N 1 3 413.993 3.843 20 0 HHADHO CC[NH+](CC)[C@@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)CC(C)C ZINC000471603317 989807238 /nfs/dbraw/zinc/80/72/38/989807238.db2.gz SOMSMGSVDZIMIX-CTWPCTMYSA-N 1 3 420.564 3.847 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000471729380 989924796 /nfs/dbraw/zinc/92/47/96/989924796.db2.gz UQVJCABBBOOADP-KIFXHHALSA-N 1 3 406.574 3.643 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000471729380 989924801 /nfs/dbraw/zinc/92/48/01/989924801.db2.gz UQVJCABBBOOADP-KIFXHHALSA-N 1 3 406.574 3.643 20 0 HHADHO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465809107 990191237 /nfs/dbraw/zinc/19/12/37/990191237.db2.gz KEDOCUGQHYABJB-XMSQKQJNSA-N 1 3 416.610 3.883 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824630 990208251 /nfs/dbraw/zinc/20/82/51/990208251.db2.gz ZXVRZLWRABWGIO-VWNXMTODSA-N 1 3 408.590 3.761 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)cc1 ZINC000465824630 990208259 /nfs/dbraw/zinc/20/82/59/990208259.db2.gz ZXVRZLWRABWGIO-VWNXMTODSA-N 1 3 408.590 3.761 20 0 HHADHO C[C@@H](NCc1cncc(Br)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000466352487 991616479 /nfs/dbraw/zinc/61/64/79/991616479.db2.gz LMBBBVAPXKDMMY-CQSZACIVSA-N 1 3 407.331 3.586 20 0 HHADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC000466400990 991694660 /nfs/dbraw/zinc/69/46/60/991694660.db2.gz XOUCBBYPDNSRMM-RDPSFJRHSA-N 1 3 406.574 3.745 20 0 HHADHO CC[NH+](CC)Cc1ccc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000467241329 992562517 /nfs/dbraw/zinc/56/25/17/992562517.db2.gz HAZYWCGIFRKKFA-UHFFFAOYSA-N 1 3 422.617 3.665 20 0 HHADHO CC(C)N1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@]4(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000467564450 992845523 /nfs/dbraw/zinc/84/55/23/992845523.db2.gz RSYSSQHXYOWVMC-KSFYIVLOSA-N 1 3 405.608 3.853 20 0 HHADHO CC(C)N1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@@]4(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000467564450 992845533 /nfs/dbraw/zinc/84/55/33/992845533.db2.gz RSYSSQHXYOWVMC-KSFYIVLOSA-N 1 3 405.608 3.853 20 0 HHADHO CCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000472386999 993382543 /nfs/dbraw/zinc/38/25/43/993382543.db2.gz XKWFYEAFDDNVSO-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000472386999 993382548 /nfs/dbraw/zinc/38/25/48/993382548.db2.gz XKWFYEAFDDNVSO-DQEYMECFSA-N 1 3 420.601 3.815 20 0 HHADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000472452645 993455308 /nfs/dbraw/zinc/45/53/08/993455308.db2.gz MFIGJCKOMTVNRB-UHFFFAOYSA-N 1 3 420.564 3.801 20 0 HHADHO CC(C)[NH+](CCN(C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(C)C ZINC000472456630 993459165 /nfs/dbraw/zinc/45/91/65/993459165.db2.gz RXXDJDRAKOEOHO-UHFFFAOYSA-N 1 3 406.537 3.552 20 0 HHADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757914 993623782 /nfs/dbraw/zinc/62/37/82/993623782.db2.gz REMDZNYMRAMQOA-SFHVURJKSA-N 1 3 403.592 3.628 20 0 HHADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480757914 993623789 /nfs/dbraw/zinc/62/37/89/993623789.db2.gz REMDZNYMRAMQOA-SFHVURJKSA-N 1 3 403.592 3.628 20 0 HHADHO Ic1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCCO2 ZINC000480759848 993625020 /nfs/dbraw/zinc/62/50/20/993625020.db2.gz PSSWREHEYICWLZ-DYVFJYSZSA-N 1 3 412.315 3.579 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000480904694 993761601 /nfs/dbraw/zinc/76/16/01/993761601.db2.gz YITSPHCBWNHDQD-UGKGYDQZSA-N 1 3 410.562 3.561 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000473516850 994370947 /nfs/dbraw/zinc/37/09/47/994370947.db2.gz FBLXUUSHXLMYFS-UHFFFAOYSA-N 1 3 423.523 3.820 20 0 HHADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423815 /nfs/dbraw/zinc/42/38/15/994423815.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423820 /nfs/dbraw/zinc/42/38/20/994423820.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 1 3 407.602 3.908 20 0 HHADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c2)CCO1 ZINC000481582719 994423825 /nfs/dbraw/zinc/42/38/25/994423825.db2.gz PGBVNUZSKQKPSO-VRUMLPLGSA-N 1 3 407.602 3.908 20 0 HHADHO CC[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481674023 994533711 /nfs/dbraw/zinc/53/37/11/994533711.db2.gz VKQHTYJEMFGUPE-AEFFLSMTSA-N 1 3 404.020 3.655 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820037 994748564 /nfs/dbraw/zinc/74/85/64/994748564.db2.gz IKQZPDDEBWNKGC-UXHICEINSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820037 994748568 /nfs/dbraw/zinc/74/85/68/994748568.db2.gz IKQZPDDEBWNKGC-UXHICEINSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2)CC1 ZINC000473820038 994748698 /nfs/dbraw/zinc/74/86/98/994748698.db2.gz IKQZPDDEBWNKGC-VQTJNVASSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)CC1 ZINC000473820038 994748709 /nfs/dbraw/zinc/74/87/09/994748709.db2.gz IKQZPDDEBWNKGC-VQTJNVASSA-N 1 3 413.610 3.603 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c2)CC1 ZINC000473825538 994754704 /nfs/dbraw/zinc/75/47/04/994754704.db2.gz WYPMKEYBJBOIOV-HSZRJFAPSA-N 1 3 409.578 3.561 20 0 HHADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000482125408 995074836 /nfs/dbraw/zinc/07/48/36/995074836.db2.gz VAPNQTVSAONKKN-YKSBVNFPSA-N 1 3 409.574 3.511 20 0 HHADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134352 995084346 /nfs/dbraw/zinc/08/43/46/995084346.db2.gz LOJLPGKCECOANF-QZTJIDSGSA-N 1 3 421.632 3.561 20 0 HHADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000482134352 995084356 /nfs/dbraw/zinc/08/43/56/995084356.db2.gz LOJLPGKCECOANF-QZTJIDSGSA-N 1 3 421.632 3.561 20 0 HHADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000482544388 995552969 /nfs/dbraw/zinc/55/29/69/995552969.db2.gz RWLSFMVNSHUDMT-LPHOPBHVSA-N 1 3 400.592 3.665 20 0 HHADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000482745442 995721025 /nfs/dbraw/zinc/72/10/25/995721025.db2.gz WASXFGBEPOWNAW-UHFFFAOYSA-N 1 3 402.583 3.889 20 0 HHADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000482884424 995816481 /nfs/dbraw/zinc/81/64/81/995816481.db2.gz DXQJSKMBVCYBTD-HXUWFJFHSA-N 1 3 409.574 3.859 20 0 HHADHO CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475130707 995941576 /nfs/dbraw/zinc/94/15/76/995941576.db2.gz QPDSBHJPKBVCEM-RPWUZVMVSA-N 1 3 406.574 3.739 20 0 HHADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000483231807 996050478 /nfs/dbraw/zinc/05/04/78/996050478.db2.gz GCNFIBPUNIIQTI-MOPGFXCFSA-N 1 3 402.583 3.712 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483484263 996210981 /nfs/dbraw/zinc/21/09/81/996210981.db2.gz IZQHNRFOFAAMBS-RSEQLOHWSA-N 1 3 412.549 3.690 20 0 HHADHO O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483484263 996210987 /nfs/dbraw/zinc/21/09/87/996210987.db2.gz IZQHNRFOFAAMBS-RSEQLOHWSA-N 1 3 412.549 3.690 20 0 HHADHO CN(c1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000483927335 996473149 /nfs/dbraw/zinc/47/31/49/996473149.db2.gz LUZVYTITLZKMSE-UHFFFAOYSA-N 1 3 413.610 3.746 20 0 HHADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000484309173 996694007 /nfs/dbraw/zinc/69/40/07/996694007.db2.gz HITKGNSMZUANHP-OAQYLSRUSA-N 1 3 404.599 3.639 20 0 HHADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@H]1C ZINC000485016568 997381586 /nfs/dbraw/zinc/38/15/86/997381586.db2.gz KNAWDDVSJRMYEZ-WIYYLYMNSA-N 1 3 404.624 3.614 20 0 HHADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@H]1C ZINC000485016568 997381595 /nfs/dbraw/zinc/38/15/95/997381595.db2.gz KNAWDDVSJRMYEZ-WIYYLYMNSA-N 1 3 404.624 3.614 20 0 HHADHO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485097708 997473980 /nfs/dbraw/zinc/47/39/80/997473980.db2.gz YVOLXTWAQXKDAS-SFTDATJTSA-N 1 3 401.595 3.843 20 0 HHADHO C[NH+]1CCC(CNC(=O)Nc2cc(F)ccc2OCC2CC2)(N2CCCCC2)CC1 ZINC000485277699 997672084 /nfs/dbraw/zinc/67/20/84/997672084.db2.gz REGQTEGLWDIIAL-UHFFFAOYSA-N 1 3 418.557 3.686 20 0 HHADHO OC[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cc1ccc(F)c(F)c1 ZINC000477941259 998670852 /nfs/dbraw/zinc/67/08/52/998670852.db2.gz RYUAGEBRTXEKTE-FBHSLPMESA-N 1 3 400.513 3.616 20 0 HHADHO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000478791383 999142696 /nfs/dbraw/zinc/14/26/96/999142696.db2.gz DJGSAJDEQWJWAT-NFBKMPQASA-N 1 3 424.589 3.604 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000478840196 999170643 /nfs/dbraw/zinc/17/06/43/999170643.db2.gz PQGIUNSXOOIHFT-QHCPKHFHSA-N 1 3 412.578 3.638 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000478840196 999170647 /nfs/dbraw/zinc/17/06/47/999170647.db2.gz PQGIUNSXOOIHFT-QHCPKHFHSA-N 1 3 412.578 3.638 20 0 HHADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479049641 999267207 /nfs/dbraw/zinc/26/72/07/999267207.db2.gz BDEGVPUQHRZMRE-IBGZPJMESA-N 1 3 422.411 3.704 20 0 HHADHO OC1CC[NH+](Cc2ccc(CN[C@H]3CCCc4nn(-c5ccccc5)cc43)cc2)CC1 ZINC000479075514 999282283 /nfs/dbraw/zinc/28/22/83/999282283.db2.gz IKPVTRNRYDQNLT-VWLOTQADSA-N 1 3 416.569 3.996 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488014269 999348995 /nfs/dbraw/zinc/34/89/95/999348995.db2.gz MWMCDXODQBOYCT-ZMUKGBGYSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488014269 999348999 /nfs/dbraw/zinc/34/89/99/999348999.db2.gz MWMCDXODQBOYCT-ZMUKGBGYSA-N 1 3 406.574 3.642 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488077176 999368988 /nfs/dbraw/zinc/36/89/88/999368988.db2.gz RYABQTAEUFILMW-LGVFNWMJSA-N 1 3 408.590 3.717 20 0 HHADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488077176 999368990 /nfs/dbraw/zinc/36/89/90/999368990.db2.gz RYABQTAEUFILMW-LGVFNWMJSA-N 1 3 408.590 3.717 20 0 HHADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367598 999406584 /nfs/dbraw/zinc/40/65/84/999406584.db2.gz ZXJNQLMGLOHKMC-CJNGLKHVSA-N 1 3 409.290 3.965 20 0 HHADHO CCOCCCN1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000479478535 999434943 /nfs/dbraw/zinc/43/49/43/999434943.db2.gz NKIZRSBLBKBERQ-CMTQZCSUSA-N 1 3 405.549 3.518 20 0 HHADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc(Cl)ccc1Cl ZINC000488601045 999542189 /nfs/dbraw/zinc/54/21/89/999542189.db2.gz XQIRRTDETIXRRL-CQSZACIVSA-N 1 3 413.393 3.912 20 0 HHADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489236147 999728111 /nfs/dbraw/zinc/72/81/11/999728111.db2.gz RTUUTEVSLZPOOY-HSZRJFAPSA-N 1 3 400.611 3.947 20 0 HHADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000489236147 999728113 /nfs/dbraw/zinc/72/81/13/999728113.db2.gz RTUUTEVSLZPOOY-HSZRJFAPSA-N 1 3 400.611 3.947 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333073 999747355 /nfs/dbraw/zinc/74/73/55/999747355.db2.gz PXICZLVFBLCJEJ-RPBOFIJWSA-N 1 3 420.601 3.957 20 0 HHADHO CN(CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000489333073 999747357 /nfs/dbraw/zinc/74/73/57/999747357.db2.gz PXICZLVFBLCJEJ-RPBOFIJWSA-N 1 3 420.601 3.957 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000480387204 999786695 /nfs/dbraw/zinc/78/66/95/999786695.db2.gz DOUWMPFSYKPRKP-BKJQLSFMSA-N 1 3 408.586 3.878 20 0 HHADHO Cc1ccccc1[C@H](OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000480387204 999786701 /nfs/dbraw/zinc/78/67/01/999786701.db2.gz DOUWMPFSYKPRKP-BKJQLSFMSA-N 1 3 408.586 3.878 20 0 HHADHO CC(C)c1cccc(CN[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000480671726 999855447 /nfs/dbraw/zinc/85/54/47/999855447.db2.gz FNVSEZUIGGRWIM-LJQANCHMSA-N 1 3 417.619 3.891 20 0 HHADHO C[C@@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000480695398 999861415 /nfs/dbraw/zinc/86/14/15/999861415.db2.gz JOSDBVHEBRKZET-VAMGGRTRSA-N 1 3 404.562 3.991 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000490953758 1000027113 /nfs/dbraw/zinc/02/71/13/1000027113.db2.gz XBNZOTFVRRSMOR-OALUTQOASA-N 1 3 404.624 3.662 20 0 HHADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000490953758 1000027114 /nfs/dbraw/zinc/02/71/14/1000027114.db2.gz XBNZOTFVRRSMOR-OALUTQOASA-N 1 3 404.624 3.662 20 0 HHADHO COc1ccc([C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c2ccccc2)cc1 ZINC000491309038 1000063425 /nfs/dbraw/zinc/06/34/25/1000063425.db2.gz VMGWSOIPESGBAV-VWLOTQADSA-N 1 3 402.542 3.721 20 0 HHADHO C[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000492578501 1000133422 /nfs/dbraw/zinc/13/34/22/1000133422.db2.gz IEUVMCREKNTGDZ-BGWNEDDSSA-N 1 3 408.590 3.542 20 0 HHADHO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)N(C)C ZINC000492578501 1000133423 /nfs/dbraw/zinc/13/34/23/1000133423.db2.gz IEUVMCREKNTGDZ-BGWNEDDSSA-N 1 3 408.590 3.542 20 0 HHADHO CCC[NH+]1CCC(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000504653616 1000310418 /nfs/dbraw/zinc/31/04/18/1000310418.db2.gz DXJWLIFYGNXIDU-NRFANRHFSA-N 1 3 411.512 3.679 20 0 HHADHO CC(C)Oc1cc(F)ccc1NC(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000494502358 1000527750 /nfs/dbraw/zinc/52/77/50/1000527750.db2.gz KSLPQUQQVIQQRN-UHFFFAOYSA-N 1 3 406.546 3.685 20 0 HHADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000495184490 1000906047 /nfs/dbraw/zinc/90/60/47/1000906047.db2.gz OJMRODDEHUUOKK-HXUWFJFHSA-N 1 3 409.496 3.755 20 0 HHADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000495184490 1000906060 /nfs/dbraw/zinc/90/60/60/1000906060.db2.gz OJMRODDEHUUOKK-HXUWFJFHSA-N 1 3 409.496 3.755 20 0 HHADHO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495434207 1001011777 /nfs/dbraw/zinc/01/17/77/1001011777.db2.gz QRNOZASETIEKPM-WAOWUJCRSA-N 1 3 401.576 3.619 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511228 1001446145 /nfs/dbraw/zinc/44/61/45/1001446145.db2.gz OKPMWSSVXHDMJE-CTNGQTDRSA-N 1 3 407.549 3.915 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506511228 1001446147 /nfs/dbraw/zinc/44/61/47/1001446147.db2.gz OKPMWSSVXHDMJE-CTNGQTDRSA-N 1 3 407.549 3.915 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000506744917 1001511634 /nfs/dbraw/zinc/51/16/34/1001511634.db2.gz UQMJVTVUDCSRML-OAQYLSRUSA-N 1 3 405.533 3.621 20 0 HHADHO C[NH+]1CCC(C)(CN[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000507427868 1002066966 /nfs/dbraw/zinc/06/69/66/1002066966.db2.gz ZJPYGDKYNNAYTJ-NRFANRHFSA-N 1 3 404.551 3.640 20 0 HHADHO Cc1ccc([C@@H](NCC2(C)CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000507472483 1002091416 /nfs/dbraw/zinc/09/14/16/1002091416.db2.gz FDEFACXOZXGKNY-JOCHJYFZSA-N 1 3 400.588 3.809 20 0 HHADHO O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000507513875 1002125182 /nfs/dbraw/zinc/12/51/82/1002125182.db2.gz RTOBICLHCSPRRE-NQHRYMMQSA-N 1 3 424.633 3.993 20 0 HHADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1 ZINC000507691077 1002283627 /nfs/dbraw/zinc/28/36/27/1002283627.db2.gz YNDHSWZYMACYMP-NRFANRHFSA-N 1 3 417.500 3.723 20 0 HHADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)cn2)C[C@@H](C)O1 ZINC000499138314 1002523509 /nfs/dbraw/zinc/52/35/09/1002523509.db2.gz DNEKXTNSPGJANG-QEYZJBADSA-N 1 3 420.601 3.980 20 0 HHADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000499419722 1002803733 /nfs/dbraw/zinc/80/37/33/1002803733.db2.gz IZHZVEUAYBZXAX-KRWDZBQOSA-N 1 3 422.411 3.619 20 0 HHADHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc(Br)c1OC(F)F ZINC000508544719 1003019604 /nfs/dbraw/zinc/01/96/04/1003019604.db2.gz MLCLYNNRFFCIDA-GFCCVEGCSA-N 1 3 407.299 3.833 20 0 HHADHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc(Br)c1OC(F)F ZINC000508544719 1003019594 /nfs/dbraw/zinc/01/95/94/1003019594.db2.gz MLCLYNNRFFCIDA-GFCCVEGCSA-N 1 3 407.299 3.833 20 0 HHADHO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508716822 1003156383 /nfs/dbraw/zinc/15/63/83/1003156383.db2.gz LFJRDIGJZYALLF-QUURXOELSA-N 1 3 411.565 3.699 20 0 HHADHO COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)N2CCOCC2)cc1 ZINC000508722295 1003162515 /nfs/dbraw/zinc/16/25/15/1003162515.db2.gz XBPUZPKKHFTBIO-QQSVUBKYSA-N 1 3 423.601 3.569 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730265 1003170055 /nfs/dbraw/zinc/17/00/55/1003170055.db2.gz OCJQYWRVAWRNRP-CCDWMCETSA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000508730265 1003170068 /nfs/dbraw/zinc/17/00/68/1003170068.db2.gz OCJQYWRVAWRNRP-CCDWMCETSA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730266 1003170180 /nfs/dbraw/zinc/17/01/80/1003170180.db2.gz OCJQYWRVAWRNRP-GVAUOCQISA-N 1 3 401.558 3.717 20 0 HHADHO c1ncn(Cc2ccccc2CN[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000508730266 1003170186 /nfs/dbraw/zinc/17/01/86/1003170186.db2.gz OCJQYWRVAWRNRP-GVAUOCQISA-N 1 3 401.558 3.717 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508849353 1003270274 /nfs/dbraw/zinc/27/02/74/1003270274.db2.gz BMWXPMJUUJYWOU-FJIJXJHWSA-N 1 3 408.590 3.841 20 0 HHADHO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N(C)C ZINC000508849353 1003270262 /nfs/dbraw/zinc/27/02/62/1003270262.db2.gz BMWXPMJUUJYWOU-FJIJXJHWSA-N 1 3 408.590 3.841 20 0 HHADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)C[C@H](C)O1 ZINC000508894898 1003325443 /nfs/dbraw/zinc/32/54/43/1003325443.db2.gz ONCUEROBNHKBTE-BKSPAHHJSA-N 1 3 416.606 3.956 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000500120803 1003482414 /nfs/dbraw/zinc/48/24/14/1003482414.db2.gz YDKVMPXWMBLZQW-DEOSSOPVSA-N 1 3 406.574 3.919 20 0 HHADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000500120804 1003482556 /nfs/dbraw/zinc/48/25/56/1003482556.db2.gz YDKVMPXWMBLZQW-XMMPIXPASA-N 1 3 406.574 3.919 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000509370239 1003798128 /nfs/dbraw/zinc/79/81/28/1003798128.db2.gz FUXZFOZWUKEUDT-IFMALSPDSA-N 1 3 422.598 3.593 20 0 HHADHO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000509370239 1003798135 /nfs/dbraw/zinc/79/81/35/1003798135.db2.gz FUXZFOZWUKEUDT-IFMALSPDSA-N 1 3 422.598 3.593 20 0 HHADHO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c1 ZINC000509531793 1003926761 /nfs/dbraw/zinc/92/67/61/1003926761.db2.gz GJDMTPXWUZOVPY-NRFANRHFSA-N 1 3 417.500 3.723 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000500753452 1003937954 /nfs/dbraw/zinc/93/79/54/1003937954.db2.gz IXTAAPZYXPQUCS-QHCPKHFHSA-N 1 3 409.578 3.551 20 0 HHADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171291 1004074906 /nfs/dbraw/zinc/07/49/06/1004074906.db2.gz GPSUOHDFRWCXSN-DHIUTWEWSA-N 1 3 408.590 3.889 20 0 HHADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171291 1004074912 /nfs/dbraw/zinc/07/49/12/1004074912.db2.gz GPSUOHDFRWCXSN-DHIUTWEWSA-N 1 3 408.590 3.889 20 0 HHADHO CC[C@H]1c2ccsc2CCN1C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036327 1004138794 /nfs/dbraw/zinc/13/87/94/1004138794.db2.gz YOEVJPNGUPPXIN-NRFANRHFSA-N 1 3 412.603 3.827 20 0 HHADHO CCN(CC)[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccsc1 ZINC000501187343 1004264783 /nfs/dbraw/zinc/26/47/83/1004264783.db2.gz MDJLEQHFPKMJND-LJQANCHMSA-N 1 3 424.680 3.792 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000501391649 1004386950 /nfs/dbraw/zinc/38/69/50/1004386950.db2.gz MXORZUICMDFBIS-APTRMMRNSA-N 1 3 424.589 3.508 20 0 HHADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000501391649 1004386961 /nfs/dbraw/zinc/38/69/61/1004386961.db2.gz MXORZUICMDFBIS-APTRMMRNSA-N 1 3 424.589 3.508 20 0 HHADHO O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000510244548 1004420890 /nfs/dbraw/zinc/42/08/90/1004420890.db2.gz UDCNKIMQBJMFCD-LEWJYISDSA-N 1 3 405.533 3.621 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664572 1004475419 /nfs/dbraw/zinc/47/54/19/1004475419.db2.gz AGGAYOSRUVRURH-WOIUINJBSA-N 1 3 413.512 3.585 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000512664572 1004475428 /nfs/dbraw/zinc/47/54/28/1004475428.db2.gz AGGAYOSRUVRURH-WOIUINJBSA-N 1 3 413.512 3.585 20 0 HHADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccsc1 ZINC000501536196 1004498675 /nfs/dbraw/zinc/49/86/75/1004498675.db2.gz PSNRCKCJTLZCJG-FQEVSTJZSA-N 1 3 421.010 3.968 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512693162 1004499244 /nfs/dbraw/zinc/49/92/44/1004499244.db2.gz HKRGDGYUIVFUFX-QZTJIDSGSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512693162 1004499246 /nfs/dbraw/zinc/49/92/46/1004499246.db2.gz HKRGDGYUIVFUFX-QZTJIDSGSA-N 1 3 422.564 3.691 20 0 HHADHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782858 1004724166 /nfs/dbraw/zinc/72/41/66/1004724166.db2.gz WVCOUOZXZZHEMJ-VXKWHMMOSA-N 1 3 409.578 3.842 20 0 HHADHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000501782858 1004724171 /nfs/dbraw/zinc/72/41/71/1004724171.db2.gz WVCOUOZXZZHEMJ-VXKWHMMOSA-N 1 3 409.578 3.842 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000513373900 1004932691 /nfs/dbraw/zinc/93/26/91/1004932691.db2.gz UGIBIQQHUACYMB-KORDQABASA-N 1 3 400.611 3.754 20 0 HHADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000513373900 1004932694 /nfs/dbraw/zinc/93/26/94/1004932694.db2.gz UGIBIQQHUACYMB-KORDQABASA-N 1 3 400.611 3.754 20 0 HHADHO C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936972 1004943607 /nfs/dbraw/zinc/94/36/07/1004943607.db2.gz XCBZZCVFERMGFA-RFLWCCGPSA-N 1 3 424.552 3.981 20 0 HHADHO C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936972 1004943613 /nfs/dbraw/zinc/94/36/13/1004943613.db2.gz XCBZZCVFERMGFA-RFLWCCGPSA-N 1 3 424.552 3.981 20 0 HHADHO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936978 1004943639 /nfs/dbraw/zinc/94/36/39/1004943639.db2.gz XCBZZCVFERMGFA-YMSRPXOMSA-N 1 3 424.552 3.981 20 0 HHADHO C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000510936978 1004943645 /nfs/dbraw/zinc/94/36/45/1004943645.db2.gz XCBZZCVFERMGFA-YMSRPXOMSA-N 1 3 424.552 3.981 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511252658 1005092531 /nfs/dbraw/zinc/09/25/31/1005092531.db2.gz YKKNWQLILJADMG-MOPGFXCFSA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511252658 1005092535 /nfs/dbraw/zinc/09/25/35/1005092535.db2.gz YKKNWQLILJADMG-MOPGFXCFSA-N 1 3 404.574 3.552 20 0 HHADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000513840103 1005154257 /nfs/dbraw/zinc/15/42/57/1005154257.db2.gz WWGAWFIQCJNIDZ-UHFFFAOYSA-N 1 3 409.574 3.985 20 0 HHADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)C1 ZINC000511453749 1005183174 /nfs/dbraw/zinc/18/31/74/1005183174.db2.gz KUQPZEVKKBLCDF-TUNPWDSISA-N 1 3 407.986 3.609 20 0 HHADHO COc1cccc([C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000511646385 1005259842 /nfs/dbraw/zinc/25/98/42/1005259842.db2.gz GQNYPSBRUYYVGB-RUZDIDTESA-N 1 3 421.585 3.861 20 0 HHADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514177028 1005299788 /nfs/dbraw/zinc/29/97/88/1005299788.db2.gz ZWHMTXZXSNQEHS-RTWAWAEBSA-N 1 3 412.603 3.534 20 0 HHADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000514177028 1005299792 /nfs/dbraw/zinc/29/97/92/1005299792.db2.gz ZWHMTXZXSNQEHS-RTWAWAEBSA-N 1 3 412.603 3.534 20 0 HHADHO CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000514181338 1005300728 /nfs/dbraw/zinc/30/07/28/1005300728.db2.gz BLIHFYUXIDWZHQ-HSZRJFAPSA-N 1 3 400.611 3.945 20 0 HHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1(N2CCSCC2)CCCC1)c1ccccc1 ZINC000503053085 1005329480 /nfs/dbraw/zinc/32/94/80/1005329480.db2.gz JTJXJORWOUMWQQ-IBGZPJMESA-N 1 3 418.651 3.777 20 0 HHADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000503400570 1005408819 /nfs/dbraw/zinc/40/88/19/1005408819.db2.gz ZHADRBZMVPDZLK-UHFFFAOYSA-N 1 3 418.548 3.699 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC000503402256 1005409285 /nfs/dbraw/zinc/40/92/85/1005409285.db2.gz SPYPVHOJTAMQSM-RPWUZVMVSA-N 1 3 412.622 3.805 20 0 HHADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2)CC1 ZINC000503476026 1005432022 /nfs/dbraw/zinc/43/20/22/1005432022.db2.gz VMVOSQOGPOADFT-VWNXMTODSA-N 1 3 412.622 3.977 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2)C1 ZINC000504398952 1005618735 /nfs/dbraw/zinc/61/87/35/1005618735.db2.gz KQIYNFHCRKNPLX-OAQYLSRUSA-N 1 3 423.605 3.587 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CCN(C)C)Cc3ccccn3)cc2)C1 ZINC000504398952 1005618738 /nfs/dbraw/zinc/61/87/38/1005618738.db2.gz KQIYNFHCRKNPLX-OAQYLSRUSA-N 1 3 423.605 3.587 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000514817552 1006149435 /nfs/dbraw/zinc/14/94/35/1006149435.db2.gz GCRPHPQZAYCPIB-KYTVRQNUSA-N 1 3 421.585 3.618 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531621023 1006310610 /nfs/dbraw/zinc/31/06/10/1006310610.db2.gz XUSPRESCOHSXHB-PEARBKPGSA-N 1 3 420.601 3.566 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531621023 1006310623 /nfs/dbraw/zinc/31/06/23/1006310623.db2.gz XUSPRESCOHSXHB-PEARBKPGSA-N 1 3 420.601 3.566 20 0 HHADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1OCc1ccccc1 ZINC000531759438 1006403526 /nfs/dbraw/zinc/40/35/26/1006403526.db2.gz RAPIRMHDEDVQMF-DHIUTWEWSA-N 1 3 410.558 3.742 20 0 HHADHO CCC[NH+]1CCN(c2ccccc2CNCc2cccc(Cn3cccn3)c2)CC1 ZINC000531785760 1006426963 /nfs/dbraw/zinc/42/69/63/1006426963.db2.gz DUADCIGDHOVZPK-UHFFFAOYSA-N 1 3 403.574 3.753 20 0 HHADHO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531994431 1006566635 /nfs/dbraw/zinc/56/66/35/1006566635.db2.gz CBTOYVMSUOGACA-SFHVURJKSA-N 1 3 422.573 3.778 20 0 HHADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCCCN3CCN(C)CC3)s2)cc1 ZINC000532195220 1006712643 /nfs/dbraw/zinc/71/26/43/1006712643.db2.gz QBCLLDUWSPSNJO-KRWDZBQOSA-N 1 3 402.608 3.805 20 0 HHADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000515844656 1006713197 /nfs/dbraw/zinc/71/31/97/1006713197.db2.gz KDNYVBKHKQQAED-PMACEKPBSA-N 1 3 406.590 3.657 20 0 HHADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534792439 1006795654 /nfs/dbraw/zinc/79/56/54/1006795654.db2.gz AGMPAYNTVYQTPU-GOSISDBHSA-N 1 3 400.792 3.707 20 0 HHADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000532441981 1006885759 /nfs/dbraw/zinc/88/57/59/1006885759.db2.gz TZQSFJGCHLOCND-AKIFATBCSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@H](c2cccs2)N2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532441981 1006885778 /nfs/dbraw/zinc/88/57/78/1006885778.db2.gz TZQSFJGCHLOCND-AKIFATBCSA-N 1 3 412.647 3.679 20 0 HHADHO C[C@@H]1C[C@@H](NC[C@H](c2cccs2)N2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532441981 1006885794 /nfs/dbraw/zinc/88/57/94/1006885794.db2.gz TZQSFJGCHLOCND-AKIFATBCSA-N 1 3 412.647 3.679 20 0 HHADHO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(-n4ccnc4C)cc3)cn2)CC1 ZINC000532446979 1006889178 /nfs/dbraw/zinc/88/91/78/1006889178.db2.gz OSMXXSPWRCDHAI-LJQANCHMSA-N 1 3 404.562 3.568 20 0 HHADHO C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723147 1006998192 /nfs/dbraw/zinc/99/81/92/1006998192.db2.gz LTQFEOQCUGRVQZ-URXFXBBRSA-N 1 3 423.649 3.687 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000538723147 1006998204 /nfs/dbraw/zinc/99/82/04/1006998204.db2.gz LTQFEOQCUGRVQZ-URXFXBBRSA-N 1 3 423.649 3.687 20 0 HHADHO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723852 1006999818 /nfs/dbraw/zinc/99/98/18/1006999818.db2.gz DETVECICVDPUJH-NLFFAJNJSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000538723852 1006999832 /nfs/dbraw/zinc/99/98/32/1006999832.db2.gz DETVECICVDPUJH-NLFFAJNJSA-N 1 3 411.565 3.863 20 0 HHADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000538750844 1007035874 /nfs/dbraw/zinc/03/58/74/1007035874.db2.gz BQZOICIWMPMBAP-LJQANCHMSA-N 1 3 406.521 3.700 20 0 HHADHO C[C@H](C(=O)N1CCc2sccc2C1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538947209 1007232680 /nfs/dbraw/zinc/23/26/80/1007232680.db2.gz YZWBDKKPUNTUSG-GOSISDBHSA-N 1 3 412.603 3.655 20 0 HHADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539065111 1007357683 /nfs/dbraw/zinc/35/76/83/1007357683.db2.gz PCELRPDNFQVVRJ-WTOYTKOKSA-N 1 3 402.583 3.635 20 0 HHADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539072811 1007364432 /nfs/dbraw/zinc/36/44/32/1007364432.db2.gz UKPZFPOBMKUAIN-GBESFXJTSA-N 1 3 410.002 3.556 20 0 HHADHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000539075737 1007366926 /nfs/dbraw/zinc/36/69/26/1007366926.db2.gz JWQZILSUTYWUGK-PMPSAXMXSA-N 1 3 401.364 3.998 20 0 HHADHO CCCN1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000533310320 1007626171 /nfs/dbraw/zinc/62/61/71/1007626171.db2.gz LJFLKKDMDPHKRJ-HNNXBMFYSA-N 1 3 401.624 3.747 20 0 HHADHO CCCN1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000533310320 1007626179 /nfs/dbraw/zinc/62/61/79/1007626179.db2.gz LJFLKKDMDPHKRJ-HNNXBMFYSA-N 1 3 401.624 3.747 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCC(=O)N1CCc3ccccc31)c1ccccc1O2 ZINC000539395703 1007701811 /nfs/dbraw/zinc/70/18/11/1007701811.db2.gz YUVVAMQLJHLNJY-JOCHJYFZSA-N 1 3 419.569 3.934 20 0 HHADHO C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539678520 1007998556 /nfs/dbraw/zinc/99/85/56/1007998556.db2.gz LJZIWHSANSWGNL-BTYIYWSLSA-N 1 3 419.928 3.876 20 0 HHADHO O=C1[C@H]([NH2+]C2CCN(CC3CC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000539682381 1008001491 /nfs/dbraw/zinc/00/14/91/1008001491.db2.gz NECHGMIXUOVNDA-HXUWFJFHSA-N 1 3 409.496 3.660 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000536095650 1008118207 /nfs/dbraw/zinc/11/82/07/1008118207.db2.gz MWWPXYXJIVUHCX-ZEQRLZLVSA-N 1 3 406.574 3.704 20 0 HHADHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1c1ccccc1 ZINC000533893434 1008187168 /nfs/dbraw/zinc/18/71/68/1008187168.db2.gz WMZXCTFGGUXMOZ-FGZHOGPDSA-N 1 3 412.603 3.705 20 0 HHADHO Cc1ccccc1C[C@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043814 1008253771 /nfs/dbraw/zinc/25/37/71/1008253771.db2.gz GKTBZLCASJXNNW-NRFANRHFSA-N 1 3 408.590 3.676 20 0 HHADHO COc1cc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1SC ZINC000540171273 1008321147 /nfs/dbraw/zinc/32/11/47/1008321147.db2.gz QADXQHRRRBIYDS-MRXNPFEDSA-N 1 3 401.576 3.559 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493460 1008454125 /nfs/dbraw/zinc/45/41/25/1008454125.db2.gz ADVQPOOQDCDIBF-YLJYHZDGSA-N 1 3 412.965 3.892 20 0 HHADHO C[NH+]1CCC2(CC1)C[C@@H](N[C@@H]1CCN(c3ncccc3Cl)C1)c1ccccc1O2 ZINC000540493460 1008454130 /nfs/dbraw/zinc/45/41/30/1008454130.db2.gz ADVQPOOQDCDIBF-YLJYHZDGSA-N 1 3 412.965 3.892 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc3ccccc3)C1)c1ccccc1O2 ZINC000540507902 1008460401 /nfs/dbraw/zinc/46/04/01/1008460401.db2.gz RHNLRLKVKSOWFJ-JTHBVZDNSA-N 1 3 419.569 3.613 20 0 HHADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000545459461 1008570592 /nfs/dbraw/zinc/57/05/92/1008570592.db2.gz YGPVRGKPIWMKOT-UHFFFAOYSA-N 1 3 410.400 3.684 20 0 HHADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000543190589 1008763878 /nfs/dbraw/zinc/76/38/78/1008763878.db2.gz UYSSWIRDEBVDFZ-AHWVRZQESA-N 1 3 421.585 3.826 20 0 HHADHO CN(C)C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000549490473 1009092319 /nfs/dbraw/zinc/09/23/19/1009092319.db2.gz QIENRBYBCFACMM-NRFANRHFSA-N 1 3 415.969 3.554 20 0 HHADHO CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546183020 1009213047 /nfs/dbraw/zinc/21/30/47/1009213047.db2.gz SDJACIPILOZDCT-HSZRJFAPSA-N 1 3 406.574 3.729 20 0 HHADHO CCc1nc(C(C)C)ccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000549857493 1009477121 /nfs/dbraw/zinc/47/71/21/1009477121.db2.gz ZXGGYTATAZKAEP-UHFFFAOYSA-N 1 3 402.627 3.683 20 0 HHADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000549867944 1009487871 /nfs/dbraw/zinc/48/78/71/1009487871.db2.gz JFBPICAYHPPYCC-UFYCRDLUSA-N 1 3 412.496 3.615 20 0 HHADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040038 1009641711 /nfs/dbraw/zinc/64/17/11/1009641711.db2.gz TXYXZIUXUQOLQY-RBUKOAKNSA-N 1 3 414.594 3.710 20 0 HHADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000544040038 1009641720 /nfs/dbraw/zinc/64/17/20/1009641720.db2.gz TXYXZIUXUQOLQY-RBUKOAKNSA-N 1 3 414.594 3.710 20 0 HHADHO O=C1CC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c2ccccc2N1 ZINC000544360549 1009987169 /nfs/dbraw/zinc/98/71/69/1009987169.db2.gz LNFQCAUESYUXEY-QHCPKHFHSA-N 1 3 406.574 3.648 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000521067542 1010085925 /nfs/dbraw/zinc/08/59/25/1010085925.db2.gz YBKORMXYKOJIQN-RTBURBONSA-N 1 3 424.580 3.796 20 0 HHADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000547426730 1010300042 /nfs/dbraw/zinc/30/00/42/1010300042.db2.gz KJBBCSSFCBKAJR-ZEQRLZLVSA-N 1 3 408.590 3.566 20 0 HHADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000547426730 1010300060 /nfs/dbraw/zinc/30/00/60/1010300060.db2.gz KJBBCSSFCBKAJR-ZEQRLZLVSA-N 1 3 408.590 3.566 20 0 HHADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000547426728 1010300324 /nfs/dbraw/zinc/30/03/24/1010300324.db2.gz KJBBCSSFCBKAJR-DNQXCXABSA-N 1 3 408.590 3.566 20 0 HHADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000547426728 1010300338 /nfs/dbraw/zinc/30/03/38/1010300338.db2.gz KJBBCSSFCBKAJR-DNQXCXABSA-N 1 3 408.590 3.566 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547502906 1010329944 /nfs/dbraw/zinc/32/99/44/1010329944.db2.gz KUWQYYYJBIIIFB-GFKHSOBKSA-N 1 3 403.570 3.644 20 0 HHADHO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547502907 1010330626 /nfs/dbraw/zinc/33/06/26/1010330626.db2.gz KUWQYYYJBIIIFB-WLXSAPIGSA-N 1 3 403.570 3.644 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092685 1010361754 /nfs/dbraw/zinc/36/17/54/1010361754.db2.gz ACYALJMOCGXOQB-KNQAVFIVSA-N 1 3 404.558 3.530 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092685 1010361760 /nfs/dbraw/zinc/36/17/60/1010361760.db2.gz ACYALJMOCGXOQB-KNQAVFIVSA-N 1 3 404.558 3.530 20 0 HHADHO COc1ccc([C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)cc1 ZINC000521509398 1010424034 /nfs/dbraw/zinc/42/40/34/1010424034.db2.gz CAXBREXZYUGFTN-DNQXCXABSA-N 1 3 424.589 3.743 20 0 HHADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000521603225 1010499088 /nfs/dbraw/zinc/49/90/88/1010499088.db2.gz ILMJEESGAOIFEY-MRXNPFEDSA-N 1 3 415.409 3.941 20 0 HHADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421256 1010998682 /nfs/dbraw/zinc/99/86/82/1010998682.db2.gz RSCJVNVPKNZYMD-KBWCOIMZSA-N 1 3 418.651 3.866 20 0 HHADHO CC1CCC(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC000522421256 1010998687 /nfs/dbraw/zinc/99/86/87/1010998687.db2.gz RSCJVNVPKNZYMD-KBWCOIMZSA-N 1 3 418.651 3.866 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000522760963 1011200548 /nfs/dbraw/zinc/20/05/48/1011200548.db2.gz QAEYPQUSZOOFJY-UHFFFAOYSA-N 1 3 414.638 3.559 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000522760963 1011200552 /nfs/dbraw/zinc/20/05/52/1011200552.db2.gz QAEYPQUSZOOFJY-UHFFFAOYSA-N 1 3 414.638 3.559 20 0 HHADHO CCN1CCN(c2ccc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)cc2)CC1 ZINC000522852743 1011292923 /nfs/dbraw/zinc/29/29/23/1011292923.db2.gz VWYYDSBHVGRGKB-RUZDIDTESA-N 1 3 420.601 3.704 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204450 1011348896 /nfs/dbraw/zinc/34/88/96/1011348896.db2.gz PTKDWHNELLROKK-TZRRMPRUSA-N 1 3 422.573 3.577 20 0 HHADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)N2CCCC2)cc1 ZINC000536204450 1011348910 /nfs/dbraw/zinc/34/89/10/1011348910.db2.gz PTKDWHNELLROKK-TZRRMPRUSA-N 1 3 422.573 3.577 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536231428 1011380559 /nfs/dbraw/zinc/38/05/59/1011380559.db2.gz GCGPJPXDNKJSDA-SGNDLWITSA-N 1 3 421.589 3.523 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000536231428 1011380571 /nfs/dbraw/zinc/38/05/71/1011380571.db2.gz GCGPJPXDNKJSDA-SGNDLWITSA-N 1 3 421.589 3.523 20 0 HHADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000523340568 1011819000 /nfs/dbraw/zinc/81/90/00/1011819000.db2.gz KPGCDWYDXDUBBC-OAQYLSRUSA-N 1 3 414.981 3.537 20 0 HHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000536724799 1011896183 /nfs/dbraw/zinc/89/61/83/1011896183.db2.gz UZDJYQXEPAYRCV-HSZRJFAPSA-N 1 3 410.537 3.955 20 0 HHADHO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000552054895 1012073236 /nfs/dbraw/zinc/07/32/36/1012073236.db2.gz RXNIIWXYTMTWHC-UEQSERJNSA-N 1 3 407.606 3.669 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000552057907 1012074856 /nfs/dbraw/zinc/07/48/56/1012074856.db2.gz MJTPEAVEYGAADN-GOTSBHOMSA-N 1 3 408.030 3.736 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000536857535 1012091199 /nfs/dbraw/zinc/09/11/99/1012091199.db2.gz KSYGGHKWRSAOMS-KRWDZBQOSA-N 1 3 417.500 3.964 20 0 HHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536859282 1012093022 /nfs/dbraw/zinc/09/30/22/1012093022.db2.gz SZTUQVQVXKHWQN-GVDBMIGSSA-N 1 3 411.974 3.545 20 0 HHADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000536862344 1012096653 /nfs/dbraw/zinc/09/66/53/1012096653.db2.gz HYGPZGLYZRLDTE-HNNXBMFYSA-N 1 3 404.352 3.591 20 0 HHADHO C[C@@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000536948809 1012250761 /nfs/dbraw/zinc/25/07/61/1012250761.db2.gz BECKTIKAQRQGGD-GOSISDBHSA-N 1 3 423.582 3.913 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(CCCCCn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000552273452 1012287185 /nfs/dbraw/zinc/28/71/85/1012287185.db2.gz AZXSDAVOFXHAPT-JOCHJYFZSA-N 1 3 410.610 3.954 20 0 HHADHO Cc1c(C)c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000552610782 1012613061 /nfs/dbraw/zinc/61/30/61/1012613061.db2.gz YEMBHEVRYDUFNX-BRSBDYLESA-N 1 3 414.594 3.926 20 0 HHADHO COc1ccc([C@@H](C)C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000537205159 1012627125 /nfs/dbraw/zinc/62/71/25/1012627125.db2.gz WVFJDXJXTQUSOR-NRFANRHFSA-N 1 3 423.601 3.759 20 0 HHADHO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C2CC[NH+](CC4CC4)CC2)C3)n1 ZINC001168380468 1072707664 /nfs/dbraw/zinc/70/76/64/1072707664.db2.gz SWBAGZPKPCDILD-LOSJGSFVSA-N 1 3 413.606 3.652 20 0 HHADHO CN(C)C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000555187919 1073249029 /nfs/dbraw/zinc/24/90/29/1073249029.db2.gz ABBYGTXIGHLLGF-OAQYLSRUSA-N 1 3 402.970 3.546 20 0 HHADHO C[C@@H]1C[C@@H](N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000555249915 1073279283 /nfs/dbraw/zinc/27/92/83/1073279283.db2.gz OCZXKHYTEBXNOP-ZSQFBXSQSA-N 1 3 406.618 3.618 20 0 HHADHO C[C@@H]1C[C@@H](N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000555249915 1073279285 /nfs/dbraw/zinc/27/92/85/1073279285.db2.gz OCZXKHYTEBXNOP-ZSQFBXSQSA-N 1 3 406.618 3.618 20 0 HHADHO O=C(CN1CCC[C@@H](Cc2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000592323002 1074715373 /nfs/dbraw/zinc/71/53/73/1074715373.db2.gz GNGLZXXHPGEEAK-VWLOTQADSA-N 1 3 405.586 3.853 20 0 HHADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000593500464 1075204972 /nfs/dbraw/zinc/20/49/72/1075204972.db2.gz IKUAYICCTZZABL-UHFFFAOYSA-N 1 3 402.583 3.747 20 0 HHADHO Cc1nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)cc(N2CCCC2)[nH+]1 ZINC001164909386 721746184 /nfs/dbraw/zinc/74/61/84/721746184.db2.gz QQRADKAZOLFSNS-UHFFFAOYSA-N 1 3 418.545 3.568 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)[nH+]1 ZINC001164909386 721746194 /nfs/dbraw/zinc/74/61/94/721746194.db2.gz QQRADKAZOLFSNS-UHFFFAOYSA-N 1 3 418.545 3.568 20 0 HHADHO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2)CC1 ZINC001164996147 722211906 /nfs/dbraw/zinc/21/19/06/722211906.db2.gz MBTCKJWXATXDDE-RUZDIDTESA-N 1 3 424.564 3.939 20 0 HHADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000542148913 1013084687 /nfs/dbraw/zinc/08/46/87/1013084687.db2.gz YSOLNPQHJHNLJU-QGZVFWFLSA-N 1 3 401.551 3.577 20 0 HHADHO COc1ccc(Nc2ccccc2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000303062069 971483489 /nfs/dbraw/zinc/48/34/89/971483489.db2.gz UWPLJLBBAJFZBM-UHFFFAOYSA-N 1 3 422.573 3.727 20 0 HHADHO c1ncn(Cc2ccc(-c3ccccc3CNC3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000542184280 1013124780 /nfs/dbraw/zinc/12/47/80/1013124780.db2.gz BDQQMZNJDGQYKK-UHFFFAOYSA-N 1 3 401.558 3.957 20 0 HHADHO Cc1nn(C(C)(C)C)c(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537620383 1013164053 /nfs/dbraw/zinc/16/40/53/1013164053.db2.gz WEBXGWBCGCTERS-UHFFFAOYSA-N 1 3 403.659 3.883 20 0 HHADHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621820 1013167157 /nfs/dbraw/zinc/16/71/57/1013167157.db2.gz IOZQAIQTHJANDA-RCZVLFRGSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621820 1013167161 /nfs/dbraw/zinc/16/71/61/1013167161.db2.gz IOZQAIQTHJANDA-RCZVLFRGSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000537621820 1013167168 /nfs/dbraw/zinc/16/71/68/1013167168.db2.gz IOZQAIQTHJANDA-RCZVLFRGSA-N 1 3 422.617 3.735 20 0 HHADHO Cc1cccc(OCCNC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537841944 1013403229 /nfs/dbraw/zinc/40/32/29/1013403229.db2.gz QCLPDMYEODLGFU-OAQYLSRUSA-N 1 3 424.589 3.512 20 0 HHADHO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797743 964399768 /nfs/dbraw/zinc/39/97/68/964399768.db2.gz QGUFFCIHKKPUDR-IBGZPJMESA-N 1 3 401.595 3.561 20 0 HHADHO Cc1cc(O[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C(C)C ZINC000050797788 964399884 /nfs/dbraw/zinc/39/98/84/964399884.db2.gz GSOXKPWHIUYSKG-LJQANCHMSA-N 1 3 401.595 3.561 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)CCCOc3cccc4ccccc43)CC2)CC1 ZINC000050798152 964400415 /nfs/dbraw/zinc/40/04/15/964400415.db2.gz KQLTXABDBVLCTI-UHFFFAOYSA-N 1 3 409.574 3.674 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)CC1 ZINC000050800864 964401308 /nfs/dbraw/zinc/40/13/08/964401308.db2.gz ZGTARKWKZAGKOQ-UHFFFAOYSA-N 1 3 403.998 3.827 20 0 HHADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1-c1ccccc1C ZINC000050802280 964401482 /nfs/dbraw/zinc/40/14/82/964401482.db2.gz PQRJTFRDEYPPRJ-UHFFFAOYSA-N 1 3 408.590 3.691 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000050801732 964401972 /nfs/dbraw/zinc/40/19/72/964401972.db2.gz SGDADGNHFSTIDL-UHFFFAOYSA-N 1 3 407.558 3.554 20 0 HHADHO CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761105 964689978 /nfs/dbraw/zinc/68/99/78/964689978.db2.gz SIHRUTJKUPYCPM-ZEQRLZLVSA-N 1 3 412.622 3.913 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000051777844 964695140 /nfs/dbraw/zinc/69/51/40/964695140.db2.gz LLKZXAGSTSYDNQ-NRFANRHFSA-N 1 3 404.986 3.745 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000537955494 1013535376 /nfs/dbraw/zinc/53/53/76/1013535376.db2.gz YMJQVDGWSJUWLS-GUDVDZBRSA-N 1 3 409.368 3.630 20 0 HHADHO OC[C@@H](CNC1CC[NH+](C2CCCC2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000537961120 1013540340 /nfs/dbraw/zinc/54/03/40/1013540340.db2.gz XLKDNVSNIPLIAX-QGZVFWFLSA-N 1 3 400.485 3.733 20 0 HHADHO OC[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000537961120 1013540347 /nfs/dbraw/zinc/54/03/47/1013540347.db2.gz XLKDNVSNIPLIAX-QGZVFWFLSA-N 1 3 400.485 3.733 20 0 HHADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000537968729 1013546030 /nfs/dbraw/zinc/54/60/30/1013546030.db2.gz UQUXZMXAHBYJMN-ZACQAIPSSA-N 1 3 415.500 3.902 20 0 HHADHO C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000537975619 1013551810 /nfs/dbraw/zinc/55/18/10/1013551810.db2.gz WMWYMRQZYBDNMC-SJLPKXTDSA-N 1 3 401.938 3.737 20 0 HHADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054043724 965370005 /nfs/dbraw/zinc/37/00/05/965370005.db2.gz JDJXMLVBISXICI-OAQYLSRUSA-N 1 3 412.603 3.849 20 0 HHADHO CC1CCN([C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2ccccc2)CC1 ZINC000057854844 965566103 /nfs/dbraw/zinc/56/61/03/965566103.db2.gz FWONWXBITCZJAM-XMMPIXPASA-N 1 3 412.622 3.977 20 0 HHADHO CCN1CCN(CCC[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000030918962 965833009 /nfs/dbraw/zinc/83/30/09/965833009.db2.gz KXVNBXCTSDUNSO-UHFFFAOYSA-N 1 3 414.981 3.710 20 0 HHADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000058820135 965918619 /nfs/dbraw/zinc/91/86/19/965918619.db2.gz PLGDNWXATOUWFY-HSZRJFAPSA-N 1 3 421.585 3.688 20 0 HHADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000058820135 965918627 /nfs/dbraw/zinc/91/86/27/965918627.db2.gz PLGDNWXATOUWFY-HSZRJFAPSA-N 1 3 421.585 3.688 20 0 HHADHO O=C(NCCCN1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522246 966488480 /nfs/dbraw/zinc/48/84/80/966488480.db2.gz LJYNHTHWSAZFJR-UHFFFAOYSA-N 1 3 406.574 3.530 20 0 HHADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)N(C)C)cc1 ZINC000062503107 966693418 /nfs/dbraw/zinc/69/34/18/966693418.db2.gz HWZBFLMJNWIYHR-QFIPXVFZSA-N 1 3 400.542 3.510 20 0 HHADHO C[NH+](C)CCCN(Cc1ccccc1)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063144131 966760094 /nfs/dbraw/zinc/76/00/94/966760094.db2.gz ODMSYGFGMVWDOY-UHFFFAOYSA-N 1 3 424.658 3.979 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850555 1013709192 /nfs/dbraw/zinc/70/91/92/1013709192.db2.gz YXNMFGGSOLTCPQ-DYESRHJHSA-N 1 3 419.338 3.932 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000542850555 1013709201 /nfs/dbraw/zinc/70/92/01/1013709201.db2.gz YXNMFGGSOLTCPQ-DYESRHJHSA-N 1 3 419.338 3.932 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000045976451 967614161 /nfs/dbraw/zinc/61/41/61/967614161.db2.gz PLJJBJKULWEYOQ-FQEVSTJZSA-N 1 3 415.626 3.771 20 0 HHADHO CCN1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)c(C)c2)CC1 ZINC000045976451 967614166 /nfs/dbraw/zinc/61/41/66/967614166.db2.gz PLJJBJKULWEYOQ-FQEVSTJZSA-N 1 3 415.626 3.771 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c3ccccc13)c1ccccc1O2 ZINC000538297551 1013832852 /nfs/dbraw/zinc/83/28/52/1013832852.db2.gz VECSQURACQLEPZ-WMZHIEFXSA-N 1 3 405.542 3.649 20 0 HHADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110149890 969630187 /nfs/dbraw/zinc/63/01/87/969630187.db2.gz JZGLBNSDDQTYHJ-OAQYLSRUSA-N 1 3 411.512 3.774 20 0 HHADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110149890 969630189 /nfs/dbraw/zinc/63/01/89/969630189.db2.gz JZGLBNSDDQTYHJ-OAQYLSRUSA-N 1 3 411.512 3.774 20 0 HHADHO C#CCN1CCC(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+](CC)CC)CC1 ZINC000139852059 970048969 /nfs/dbraw/zinc/04/89/69/970048969.db2.gz NUWIBIMVOYPQMF-HXUWFJFHSA-N 1 3 409.496 3.550 20 0 HHADHO C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)o1 ZINC000215981583 970058227 /nfs/dbraw/zinc/05/82/27/970058227.db2.gz AHQZREIXIIZHPG-JTSKRJEESA-N 1 3 414.594 3.636 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2)CC1 ZINC000215992848 970059134 /nfs/dbraw/zinc/05/91/34/970059134.db2.gz BGNXLNDJDXFDOG-UHFFFAOYSA-N 1 3 404.558 3.938 20 0 HHADHO CC(C)COc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236718263 970162512 /nfs/dbraw/zinc/16/25/12/970162512.db2.gz LVJXQZOYQGTXAW-HSZRJFAPSA-N 1 3 409.574 3.709 20 0 HHADHO CC(C)COc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000236718263 970162518 /nfs/dbraw/zinc/16/25/18/970162518.db2.gz LVJXQZOYQGTXAW-HSZRJFAPSA-N 1 3 409.574 3.709 20 0 HHADHO CCCCCOc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC ZINC000236783793 970171474 /nfs/dbraw/zinc/17/14/74/970171474.db2.gz BAZOUDZBSIEGQW-UHFFFAOYSA-N 1 3 403.611 3.912 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000236947455 970192901 /nfs/dbraw/zinc/19/29/01/970192901.db2.gz YCGBJABDUONVLU-IBGZPJMESA-N 1 3 416.997 3.677 20 0 HHADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000236952667 970193641 /nfs/dbraw/zinc/19/36/41/970193641.db2.gz XDQCPUSVAREJMG-QGZVFWFLSA-N 1 3 404.002 3.506 20 0 HHADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000236974515 970197962 /nfs/dbraw/zinc/19/79/62/970197962.db2.gz ZYFULNMXMGMPJF-SFHVURJKSA-N 1 3 414.981 3.708 20 0 HHADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1Oc1cccnc1 ZINC000237177087 970236075 /nfs/dbraw/zinc/23/60/75/970236075.db2.gz QDOMVUNWHQVKBG-UHFFFAOYSA-N 1 3 418.541 3.764 20 0 HHADHO C[N@H+](CCOc1cccc(CNCc2ccc(-n3cccn3)cc2)c1)C1CCOCC1 ZINC000237206266 970241185 /nfs/dbraw/zinc/24/11/85/970241185.db2.gz VYONYCOVXIRXQN-UHFFFAOYSA-N 1 3 420.557 3.652 20 0 HHADHO C[N@@H+](CCOc1cccc(CNCc2ccc(-n3cccn3)cc2)c1)C1CCOCC1 ZINC000237206266 970241189 /nfs/dbraw/zinc/24/11/89/970241189.db2.gz VYONYCOVXIRXQN-UHFFFAOYSA-N 1 3 420.557 3.652 20 0 HHADHO COc1cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1SC ZINC000237240346 970247351 /nfs/dbraw/zinc/24/73/51/970247351.db2.gz NBHHGQDMTWOPGZ-UHFFFAOYSA-N 1 3 413.587 3.533 20 0 HHADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000145400700 970259832 /nfs/dbraw/zinc/25/98/32/970259832.db2.gz UJOTYPPWZUOINB-OAQYLSRUSA-N 1 3 412.603 3.534 20 0 HHADHO C[C@H]1CCC[N@H+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145598024 970266304 /nfs/dbraw/zinc/26/63/04/970266304.db2.gz NULHTHXPMHLLLH-FQEVSTJZSA-N 1 3 402.652 3.627 20 0 HHADHO C[C@H]1CCC[N@@H+](CCCCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145598024 970266312 /nfs/dbraw/zinc/26/63/12/970266312.db2.gz NULHTHXPMHLLLH-FQEVSTJZSA-N 1 3 402.652 3.627 20 0 HHADHO COc1cc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(-c2ccccc2)cc1OC ZINC000237391174 970276440 /nfs/dbraw/zinc/27/64/40/970276440.db2.gz JHQJTCGBKBNNME-IBGZPJMESA-N 1 3 410.558 3.961 20 0 HHADHO COc1ccc(C[NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccc12 ZINC000237462672 970293078 /nfs/dbraw/zinc/29/30/78/970293078.db2.gz QKERPWJZSIZGAX-UHFFFAOYSA-N 1 3 417.553 3.964 20 0 HHADHO C[C@H]1CN(CCCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000237607838 970320929 /nfs/dbraw/zinc/32/09/29/970320929.db2.gz CIMYIGPXIOEZOC-HOTGVXAUSA-N 1 3 409.368 3.704 20 0 HHADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237923211 970395472 /nfs/dbraw/zinc/39/54/72/970395472.db2.gz BDWHYCADNFEKEC-XMMPIXPASA-N 1 3 420.601 3.664 20 0 HHADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(N4CCCCC4)cc3)c2)C1 ZINC000237923211 970395482 /nfs/dbraw/zinc/39/54/82/970395482.db2.gz BDWHYCADNFEKEC-XMMPIXPASA-N 1 3 420.601 3.664 20 0 HHADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)(N2CCCCC2)CC1 ZINC000303973966 972560400 /nfs/dbraw/zinc/56/04/00/972560400.db2.gz UUZYSMZDNQJREI-UXHICEINSA-N 1 3 423.523 3.875 20 0 HHADHO OC1(CNCc2cc(Br)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397504513 972871619 /nfs/dbraw/zinc/87/16/19/972871619.db2.gz BUVIQYSQKSZKTN-UHFFFAOYSA-N 1 3 407.327 3.705 20 0 HHADHO OC1(C[NH2+]Cc2ccc(F)c(Br)c2)CCN(Cc2ccccc2)CC1 ZINC000397538219 972872206 /nfs/dbraw/zinc/87/22/06/972872206.db2.gz KGWHEUHCGRMSJN-UHFFFAOYSA-N 1 3 407.327 3.705 20 0 HHADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000409636346 973084633 /nfs/dbraw/zinc/08/46/33/973084633.db2.gz BXOAYVLZXMHLTF-UHFFFAOYSA-N 1 3 420.601 3.501 20 0 HHADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351751 973942096 /nfs/dbraw/zinc/94/20/96/973942096.db2.gz HHSKISXUUMTAAA-PXDATVDWSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000410351751 973942138 /nfs/dbraw/zinc/94/21/38/973942138.db2.gz HHSKISXUUMTAAA-PXDATVDWSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377207 973974348 /nfs/dbraw/zinc/97/43/48/973974348.db2.gz YPMUVJFALHUZJC-OFVILXPXSA-N 1 3 420.601 3.992 20 0 HHADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)C1 ZINC000410377207 973974358 /nfs/dbraw/zinc/97/43/58/973974358.db2.gz YPMUVJFALHUZJC-OFVILXPXSA-N 1 3 420.601 3.992 20 0 HHADHO COC(=O)C1CCC([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CC1 ZINC000425921693 974032776 /nfs/dbraw/zinc/03/27/76/974032776.db2.gz RLISNUKIWYEFTK-UHFFFAOYSA-N 1 3 421.585 3.830 20 0 HHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000425962584 974066315 /nfs/dbraw/zinc/06/63/15/974066315.db2.gz YVKYYOCPLJFHDZ-SZPZYZBQSA-N 1 3 402.542 3.600 20 0 HHADHO COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000425962584 974066322 /nfs/dbraw/zinc/06/63/22/974066322.db2.gz YVKYYOCPLJFHDZ-SZPZYZBQSA-N 1 3 402.542 3.600 20 0 HHADHO C[C@H]1CN(CCC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000426785338 974657449 /nfs/dbraw/zinc/65/74/49/974657449.db2.gz PGECZJNAIZYDRV-ROUUACIJSA-N 1 3 418.607 3.942 20 0 HHADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@@H](C)O1 ZINC000427356690 975074741 /nfs/dbraw/zinc/07/47/41/975074741.db2.gz HMPCUPNWGMIYKZ-NHCUHLMSSA-N 1 3 413.606 3.634 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000428921910 976222057 /nfs/dbraw/zinc/22/20/57/976222057.db2.gz ONFOYINVWIBYKE-BHDDXSALSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000428921910 976222061 /nfs/dbraw/zinc/22/20/61/976222061.db2.gz ONFOYINVWIBYKE-BHDDXSALSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000428921915 976222511 /nfs/dbraw/zinc/22/25/11/976222511.db2.gz ONFOYINVWIBYKE-VSKRKVRLSA-N 1 3 422.658 3.562 20 0 HHADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000428921915 976222523 /nfs/dbraw/zinc/22/25/23/976222523.db2.gz ONFOYINVWIBYKE-VSKRKVRLSA-N 1 3 422.658 3.562 20 0 HHADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003073 976282945 /nfs/dbraw/zinc/28/29/45/976282945.db2.gz CVOUWLNZOBCDPP-BVAGGSTKSA-N 1 3 408.586 3.780 20 0 HHADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)C2)C1 ZINC000429003073 976282957 /nfs/dbraw/zinc/28/29/57/976282957.db2.gz CVOUWLNZOBCDPP-BVAGGSTKSA-N 1 3 408.586 3.780 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497573 976754171 /nfs/dbraw/zinc/75/41/71/976754171.db2.gz QXZQFUSAXLZNKN-VJBMBRPKSA-N 1 3 414.638 3.974 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1C ZINC000429497573 976754177 /nfs/dbraw/zinc/75/41/77/976754177.db2.gz QXZQFUSAXLZNKN-VJBMBRPKSA-N 1 3 414.638 3.974 20 0 HHADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000431631788 978397323 /nfs/dbraw/zinc/39/73/23/978397323.db2.gz SUKIBAKHRZZIFQ-HXUWFJFHSA-N 1 3 406.640 3.942 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000435418755 980852111 /nfs/dbraw/zinc/85/21/11/980852111.db2.gz YIZWRQOYVWMXBB-UHFFFAOYSA-N 1 3 416.997 3.697 20 0 HHADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000435525109 980919874 /nfs/dbraw/zinc/91/98/74/980919874.db2.gz HWVMTDVBQRFHFG-YADHBBJMSA-N 1 3 424.593 3.587 20 0 HHADHO CCC[NH+]1CCC(NC(=O)Nc2cc(C)nn2[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000435536745 980927760 /nfs/dbraw/zinc/92/77/60/980927760.db2.gz VFXPFFNFNYQQMB-QFIPXVFZSA-N 1 3 424.593 3.634 20 0 HHADHO CN(c1ccccc1)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000435782202 981028980 /nfs/dbraw/zinc/02/89/80/981028980.db2.gz NKXHUGKFZHKIBX-DEOSSOPVSA-N 1 3 402.542 3.706 20 0 HHADHO CN(c1ccccc1)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000435782202 981028987 /nfs/dbraw/zinc/02/89/87/981028987.db2.gz NKXHUGKFZHKIBX-DEOSSOPVSA-N 1 3 402.542 3.706 20 0 HHADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448467824 981804121 /nfs/dbraw/zinc/80/41/21/981804121.db2.gz RRYWRGSSIYFOQN-PMVMPFDFSA-N 1 3 400.611 3.831 20 0 HHADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000448467824 981804133 /nfs/dbraw/zinc/80/41/33/981804133.db2.gz RRYWRGSSIYFOQN-PMVMPFDFSA-N 1 3 400.611 3.831 20 0 HHADHO C[C@@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCN1Cc1ccccc1 ZINC000437741503 982330829 /nfs/dbraw/zinc/33/08/29/982330829.db2.gz BVUIMTHAVKQMFE-HXUWFJFHSA-N 1 3 410.562 3.755 20 0 HHADHO CC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000438068030 982567504 /nfs/dbraw/zinc/56/75/04/982567504.db2.gz XHQCVULKKZSKHN-HXUWFJFHSA-N 1 3 411.512 3.874 20 0 HHADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000438106205 982591977 /nfs/dbraw/zinc/59/19/77/982591977.db2.gz SFIDAPTUQYZLMD-NRFANRHFSA-N 1 3 404.624 3.616 20 0 HHADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000438106205 982591988 /nfs/dbraw/zinc/59/19/88/982591988.db2.gz SFIDAPTUQYZLMD-NRFANRHFSA-N 1 3 404.624 3.616 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)N2CCCC2)cc1 ZINC000439320154 983363358 /nfs/dbraw/zinc/36/33/58/983363358.db2.gz DAUXNAXQDUELHC-JOCHJYFZSA-N 1 3 414.619 3.967 20 0 HHADHO Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000439457695 983418986 /nfs/dbraw/zinc/41/89/86/983418986.db2.gz RCTRUMLBDLNOLA-QFIPXVFZSA-N 1 3 424.593 3.588 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756934 983526619 /nfs/dbraw/zinc/52/66/19/983526619.db2.gz MHWIRZRWXYTKCW-DENIHFKCSA-N 1 3 424.564 3.775 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000439756934 983526620 /nfs/dbraw/zinc/52/66/20/983526620.db2.gz MHWIRZRWXYTKCW-DENIHFKCSA-N 1 3 424.564 3.775 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000440174133 983669416 /nfs/dbraw/zinc/66/94/16/983669416.db2.gz ICBRGSYHLJBNMG-HXUWFJFHSA-N 1 3 415.626 3.761 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC(C)(C)CCc4ccccc43)CC2)CC1 ZINC000441001815 984017934 /nfs/dbraw/zinc/01/79/34/984017934.db2.gz QEHOTOHPPADGQC-HSZRJFAPSA-N 1 3 412.622 3.948 20 0 HHADHO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3cccc(CN(C)C)c3)c2)CC1 ZINC000442170712 984693114 /nfs/dbraw/zinc/69/31/14/984693114.db2.gz TYTPDPRWHBOHIQ-UHFFFAOYSA-N 1 3 422.573 3.600 20 0 HHADHO CCCCN(C(=O)CC1(N2CCOCC2)CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000462009641 984989534 /nfs/dbraw/zinc/98/95/34/984989534.db2.gz RCZLJTZLHUCTTP-UHFFFAOYSA-N 1 3 407.643 3.959 20 0 HHADHO CN1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1(C)C ZINC000442875445 985254477 /nfs/dbraw/zinc/25/44/77/985254477.db2.gz WADVKKNYYPCLCE-GOSISDBHSA-N 1 3 402.583 3.942 20 0 HHADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462538343 985486322 /nfs/dbraw/zinc/48/63/22/985486322.db2.gz RPAULOZKURCBFM-MRXNPFEDSA-N 1 3 402.505 3.507 20 0 HHADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000462538343 985486329 /nfs/dbraw/zinc/48/63/29/985486329.db2.gz RPAULOZKURCBFM-MRXNPFEDSA-N 1 3 402.505 3.507 20 0 HHADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C(C)(C)C[NH+](C)C ZINC000443698064 985911367 /nfs/dbraw/zinc/91/13/67/985911367.db2.gz ZIRZMHZTNQOSDR-INIZCTEOSA-N 1 3 416.532 3.755 20 0 HHADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccc(Br)cc1OCCCO ZINC000462966284 985912318 /nfs/dbraw/zinc/91/23/18/985912318.db2.gz NIANAZASCHCMLM-JEDBISTDSA-N 1 3 411.384 3.734 20 0 HHADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000463008317 985961331 /nfs/dbraw/zinc/96/13/31/985961331.db2.gz GRMSLWYFZDXLKE-GBXCKJPGSA-N 1 3 408.590 3.800 20 0 HHADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000463016657 985972887 /nfs/dbraw/zinc/97/28/87/985972887.db2.gz UWVCITSAZHZCTC-YKSBVNFPSA-N 1 3 406.574 3.602 20 0 HHADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CCN1Cc1ccccc1 ZINC000463070264 986025996 /nfs/dbraw/zinc/02/59/96/986025996.db2.gz SBHZTKHIIIZAGO-RDGATRHJSA-N 1 3 423.601 3.540 20 0 HHADHO COC(=O)CCCN1CCC(Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000463249069 986217565 /nfs/dbraw/zinc/21/75/65/986217565.db2.gz XXQQUIKMYSKNNO-UHFFFAOYSA-N 1 3 401.595 3.791 20 0 HHADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000468932496 986638586 /nfs/dbraw/zinc/63/85/86/986638586.db2.gz MKAFLRGKNQSUCT-UHFFFAOYSA-N 1 3 410.587 3.729 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](c4ccccc4)c4ccccc43)CC2)CC1 ZINC000445009211 987141253 /nfs/dbraw/zinc/14/12/53/987141253.db2.gz CVEZRTDDBRZTGA-XMMPIXPASA-N 1 3 418.585 3.907 20 0 HHADHO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000469760151 987413366 /nfs/dbraw/zinc/41/33/66/987413366.db2.gz HMLMSIRPLMLHKR-QZTJIDSGSA-N 1 3 413.528 3.780 20 0 HHADHO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000469787781 987432826 /nfs/dbraw/zinc/43/28/26/987432826.db2.gz RERHLOUZDJHFRP-SRCYTUNASA-N 1 3 407.602 3.788 20 0 HHADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326972 988461472 /nfs/dbraw/zinc/46/14/72/988461472.db2.gz YOCVQDCEFHAEMP-IRLDBZIGSA-N 1 3 423.523 3.822 20 0 HHADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000464326972 988461476 /nfs/dbraw/zinc/46/14/76/988461476.db2.gz YOCVQDCEFHAEMP-IRLDBZIGSA-N 1 3 423.523 3.822 20 0 HHADHO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993721 989059162 /nfs/dbraw/zinc/05/91/62/989059162.db2.gz LJLKDXQNDNRYJY-GBQCUBBRSA-N 1 3 422.569 3.532 20 0 HHADHO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000470993721 989059168 /nfs/dbraw/zinc/05/91/68/989059168.db2.gz LJLKDXQNDNRYJY-GBQCUBBRSA-N 1 3 422.569 3.532 20 0 HHADHO Clc1cccc(-c2noc(CC[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)n2)c1 ZINC000471012045 989081654 /nfs/dbraw/zinc/08/16/54/989081654.db2.gz LUMBMSGVCHDZCB-BGYRXZFFSA-N 1 3 408.933 3.996 20 0 HHADHO Clc1cccc(-c2noc(CC[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)n2)c1 ZINC000471012045 989081661 /nfs/dbraw/zinc/08/16/61/989081661.db2.gz LUMBMSGVCHDZCB-BGYRXZFFSA-N 1 3 408.933 3.996 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431774 989777715 /nfs/dbraw/zinc/77/77/15/989777715.db2.gz KGUOZWHJAHROQH-KCZVDYSFSA-N 1 3 412.603 3.705 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000465431774 989777725 /nfs/dbraw/zinc/77/77/25/989777725.db2.gz KGUOZWHJAHROQH-KCZVDYSFSA-N 1 3 412.603 3.705 20 0 HHADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000465523985 989878150 /nfs/dbraw/zinc/87/81/50/989878150.db2.gz COEVGSIENFWGIU-QHCPKHFHSA-N 1 3 420.601 3.598 20 0 HHADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000465523985 989878157 /nfs/dbraw/zinc/87/81/57/989878157.db2.gz COEVGSIENFWGIU-QHCPKHFHSA-N 1 3 420.601 3.598 20 0 HHADHO CC(C)(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000471681855 989885626 /nfs/dbraw/zinc/88/56/26/989885626.db2.gz AXGHWSULWVVAEZ-QFIPXVFZSA-N 1 3 420.601 3.645 20 0 HHADHO CC(C)(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000471681855 989885632 /nfs/dbraw/zinc/88/56/32/989885632.db2.gz AXGHWSULWVVAEZ-QFIPXVFZSA-N 1 3 420.601 3.645 20 0 HHADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)Cc1ccccc1 ZINC000465755247 990141326 /nfs/dbraw/zinc/14/13/26/990141326.db2.gz OCKJGEWIGVKNPW-XMMPIXPASA-N 1 3 408.590 3.672 20 0 HHADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)Cc1ccccc1 ZINC000465755247 990141329 /nfs/dbraw/zinc/14/13/29/990141329.db2.gz OCKJGEWIGVKNPW-XMMPIXPASA-N 1 3 408.590 3.672 20 0 HHADHO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000465806790 990189622 /nfs/dbraw/zinc/18/96/22/990189622.db2.gz HBVWGIPSVLSCQS-DYESRHJHSA-N 1 3 402.583 3.629 20 0 HHADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465932751 991068396 /nfs/dbraw/zinc/06/83/96/991068396.db2.gz RNOJVBBXVPYHMA-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000465932751 991068403 /nfs/dbraw/zinc/06/84/03/991068403.db2.gz RNOJVBBXVPYHMA-JWQCQUIFSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000466525163 991820683 /nfs/dbraw/zinc/82/06/83/991820683.db2.gz GIJQWQRWPMPMAT-QPPBQGQZSA-N 1 3 420.601 3.955 20 0 HHADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293785 993308467 /nfs/dbraw/zinc/30/84/67/993308467.db2.gz CAVPKTCPKAVZNP-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC000472293785 993308476 /nfs/dbraw/zinc/30/84/76/993308476.db2.gz CAVPKTCPKAVZNP-RDGATRHJSA-N 1 3 420.601 3.815 20 0 HHADHO Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000480759851 993624974 /nfs/dbraw/zinc/62/49/74/993624974.db2.gz PSSWREHEYICWLZ-SUMWQHHRSA-N 1 3 412.315 3.579 20 0 HHADHO COc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1Cl ZINC000481195829 994029449 /nfs/dbraw/zinc/02/94/49/994029449.db2.gz YAWLRPKAGXIOAZ-OXQOHEQNSA-N 1 3 401.938 3.787 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000481329574 994148918 /nfs/dbraw/zinc/14/89/18/994148918.db2.gz IBPZUPNOUDBTCP-WMZHIEFXSA-N 1 3 409.578 3.641 20 0 HHADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298459 994154009 /nfs/dbraw/zinc/15/40/09/994154009.db2.gz CDQWMCMVNQZJTJ-DHIUTWEWSA-N 1 3 409.549 3.676 20 0 HHADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473298459 994154017 /nfs/dbraw/zinc/15/40/17/994154017.db2.gz CDQWMCMVNQZJTJ-DHIUTWEWSA-N 1 3 409.549 3.676 20 0 HHADHO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000481385681 994216355 /nfs/dbraw/zinc/21/63/55/994216355.db2.gz XGNDVAGOBVORKH-UHFFFAOYSA-N 1 3 401.599 3.558 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000473516643 994370552 /nfs/dbraw/zinc/37/05/52/994370552.db2.gz CYIFGGWNTRGRIK-PELRDEGISA-N 1 3 423.523 3.820 20 0 HHADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000473516643 994370562 /nfs/dbraw/zinc/37/05/62/994370562.db2.gz CYIFGGWNTRGRIK-PELRDEGISA-N 1 3 423.523 3.820 20 0 HHADHO C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1cccc(OCC[NH+](C)C)c1 ZINC000481580568 994419738 /nfs/dbraw/zinc/41/97/38/994419738.db2.gz KLHCZFYNDDSMSU-CQSZACIVSA-N 1 3 421.335 3.969 20 0 HHADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146938 995098156 /nfs/dbraw/zinc/09/81/56/995098156.db2.gz QGUNKFNVPPUFKR-SJORKVTESA-N 1 3 407.605 3.682 20 0 HHADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000482146938 995098161 /nfs/dbraw/zinc/09/81/61/995098161.db2.gz QGUNKFNVPPUFKR-SJORKVTESA-N 1 3 407.605 3.682 20 0 HHADHO COc1ccc2cc([C@H](C)NCc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2c1 ZINC000482259369 995237207 /nfs/dbraw/zinc/23/72/07/995237207.db2.gz HEMUGROIIWEFML-SFHVURJKSA-N 1 3 405.542 3.991 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482436147 995428941 /nfs/dbraw/zinc/42/89/41/995428941.db2.gz IPKNQDIDROLMGE-PZJWPPBQSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482436147 995428949 /nfs/dbraw/zinc/42/89/49/995428949.db2.gz IPKNQDIDROLMGE-PZJWPPBQSA-N 1 3 415.603 3.663 20 0 HHADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482436147 995428963 /nfs/dbraw/zinc/42/89/63/995428963.db2.gz IPKNQDIDROLMGE-PZJWPPBQSA-N 1 3 415.603 3.663 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000474517694 995481678 /nfs/dbraw/zinc/48/16/78/995481678.db2.gz LLTXYZDFFIWJFQ-NPHXMPSESA-N 1 3 412.578 3.509 20 0 HHADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000474517694 995481683 /nfs/dbraw/zinc/48/16/83/995481683.db2.gz LLTXYZDFFIWJFQ-NPHXMPSESA-N 1 3 412.578 3.509 20 0 HHADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631654 995625504 /nfs/dbraw/zinc/62/55/04/995625504.db2.gz OEJPZPVRRUNVIU-URXFXBBRSA-N 1 3 407.558 3.560 20 0 HHADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CCC2 ZINC000482631654 995625511 /nfs/dbraw/zinc/62/55/11/995625511.db2.gz OEJPZPVRRUNVIU-URXFXBBRSA-N 1 3 407.558 3.560 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833684 995738617 /nfs/dbraw/zinc/73/86/17/995738617.db2.gz SKTJVNDNUHVGPO-NRFANRHFSA-N 1 3 424.564 3.818 20 0 HHADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2)CC1 ZINC000474833684 995738626 /nfs/dbraw/zinc/73/86/26/995738626.db2.gz SKTJVNDNUHVGPO-NRFANRHFSA-N 1 3 424.564 3.818 20 0 HHADHO CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475010993 995867758 /nfs/dbraw/zinc/86/77/58/995867758.db2.gz ZVBHFUOAEHBXFQ-XMMPIXPASA-N 1 3 406.574 3.698 20 0 HHADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475015810 995871936 /nfs/dbraw/zinc/87/19/36/995871936.db2.gz KLLJINOZIUAJMS-LEWJYISDSA-N 1 3 412.603 3.801 20 0 HHADHO CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475015810 995871943 /nfs/dbraw/zinc/87/19/43/995871943.db2.gz KLLJINOZIUAJMS-LEWJYISDSA-N 1 3 412.603 3.801 20 0 HHADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000475137989 995946912 /nfs/dbraw/zinc/94/69/12/995946912.db2.gz LXUGNLGEDSHZDB-RUZDIDTESA-N 1 3 420.601 3.875 20 0 HHADHO CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475137716 995947032 /nfs/dbraw/zinc/94/70/32/995947032.db2.gz KYKWQNVOXXEPIW-VWLOTQADSA-N 1 3 420.601 3.609 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475184749 995981085 /nfs/dbraw/zinc/98/10/85/995981085.db2.gz UVURZQWQBZVKJD-JCTONOIOSA-N 1 3 412.622 3.945 20 0 HHADHO CCN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475184749 995981092 /nfs/dbraw/zinc/98/10/92/995981092.db2.gz UVURZQWQBZVKJD-JCTONOIOSA-N 1 3 412.622 3.945 20 0 HHADHO Brc1cnn(CCCC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000475214670 996001661 /nfs/dbraw/zinc/00/16/61/996001661.db2.gz QQELQMIWDSYGQA-HLAWJBBLSA-N 1 3 417.395 3.926 20 0 HHADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccccc2F)s1 ZINC000483149802 996004011 /nfs/dbraw/zinc/00/40/11/996004011.db2.gz XQIPRNFMLSRGBF-GOSISDBHSA-N 1 3 405.583 3.595 20 0 HHADHO O[C@H](COCc1cccs1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483476782 996205175 /nfs/dbraw/zinc/20/51/75/996205175.db2.gz PZIBXLDOBFBLPH-FUPPJEDESA-N 1 3 400.588 3.612 20 0 HHADHO O[C@H](COCc1cccs1)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483476782 996205181 /nfs/dbraw/zinc/20/51/81/996205181.db2.gz PZIBXLDOBFBLPH-FUPPJEDESA-N 1 3 400.588 3.612 20 0 HHADHO O[C@H](COCc1cccs1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483476786 996205224 /nfs/dbraw/zinc/20/52/24/996205224.db2.gz PZIBXLDOBFBLPH-QNWVGRARSA-N 1 3 400.588 3.612 20 0 HHADHO O[C@H](COCc1cccs1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483476786 996205227 /nfs/dbraw/zinc/20/52/27/996205227.db2.gz PZIBXLDOBFBLPH-QNWVGRARSA-N 1 3 400.588 3.612 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483495444 996217355 /nfs/dbraw/zinc/21/73/55/996217355.db2.gz YNRPORWQHNFHGY-GPXOXTDOSA-N 1 3 424.585 3.559 20 0 HHADHO COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483495444 996217357 /nfs/dbraw/zinc/21/73/57/996217357.db2.gz YNRPORWQHNFHGY-GPXOXTDOSA-N 1 3 424.585 3.559 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000477534402 998253410 /nfs/dbraw/zinc/25/34/10/998253410.db2.gz JSPNJCARWBJDMT-LJQANCHMSA-N 1 3 415.603 3.601 20 0 HHADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000477534402 998253429 /nfs/dbraw/zinc/25/34/29/998253429.db2.gz JSPNJCARWBJDMT-LJQANCHMSA-N 1 3 415.603 3.601 20 0 HHADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111579 998559041 /nfs/dbraw/zinc/55/90/41/998559041.db2.gz RSJFWCVVKHAISS-GHTZIAJQSA-N 1 3 404.624 3.791 20 0 HHADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000486111579 998559050 /nfs/dbraw/zinc/55/90/50/998559050.db2.gz RSJFWCVVKHAISS-GHTZIAJQSA-N 1 3 404.624 3.791 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000486757647 998926249 /nfs/dbraw/zinc/92/62/49/998926249.db2.gz BFBZYENVZQMOIT-ISJGIBHGSA-N 1 3 424.633 3.913 20 0 HHADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1C(F)(F)F ZINC000479056083 999271215 /nfs/dbraw/zinc/27/12/15/999271215.db2.gz GMTSMRSQDPVOOT-HNNXBMFYSA-N 1 3 409.290 3.965 20 0 HHADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479073727 999280813 /nfs/dbraw/zinc/28/08/13/999280813.db2.gz YEJFYKRXEYOGRM-YWZLYKJASA-N 1 3 412.391 3.903 20 0 HHADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479367602 999406574 /nfs/dbraw/zinc/40/65/74/999406574.db2.gz ZXJNQLMGLOHKMC-XJKSGUPXSA-N 1 3 409.290 3.965 20 0 HHADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479368550 999407138 /nfs/dbraw/zinc/40/71/38/999407138.db2.gz ZIJWFUNUWLNQDI-STQMWFEESA-N 1 3 410.411 3.802 20 0 HHADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437286 999416728 /nfs/dbraw/zinc/41/67/28/999416728.db2.gz LRSXEWIUQVLWJF-VWNXMTODSA-N 1 3 402.542 3.606 20 0 HHADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000479437286 999416733 /nfs/dbraw/zinc/41/67/33/999416733.db2.gz LRSXEWIUQVLWJF-VWNXMTODSA-N 1 3 402.542 3.606 20 0 HHADHO Cc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000489226823 999726290 /nfs/dbraw/zinc/72/62/90/999726290.db2.gz SDKWNDDIZHOHPY-HSZRJFAPSA-N 1 3 400.611 3.940 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229497 999726713 /nfs/dbraw/zinc/72/67/13/999726713.db2.gz YFGKMIRTNGDBOP-NSHGMRRFSA-N 1 3 418.607 3.982 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000489229497 999726716 /nfs/dbraw/zinc/72/67/16/999726716.db2.gz YFGKMIRTNGDBOP-NSHGMRRFSA-N 1 3 418.607 3.982 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3cccc(F)c3)C(C)(C)C)CC2)CC1 ZINC000489392205 999757145 /nfs/dbraw/zinc/75/71/45/999757145.db2.gz MTNVRTKEJQWPMX-OAQYLSRUSA-N 1 3 404.574 3.771 20 0 HHADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000489874085 999852906 /nfs/dbraw/zinc/85/29/06/999852906.db2.gz OQRKHIZVICCIFV-HSZRJFAPSA-N 1 3 406.574 3.567 20 0 HHADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000490125458 999896718 /nfs/dbraw/zinc/89/67/18/999896718.db2.gz PNGDWALFDHGHLP-RUZDIDTESA-N 1 3 409.574 3.990 20 0 HHADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000490190711 999907829 /nfs/dbraw/zinc/90/78/29/999907829.db2.gz LJVRMMFUMOAZNG-QFIPXVFZSA-N 1 3 404.599 3.640 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000490954899 1000027233 /nfs/dbraw/zinc/02/72/33/1000027233.db2.gz ODRRMVVCACAERE-RBUKOAKNSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000490954899 1000027235 /nfs/dbraw/zinc/02/72/35/1000027235.db2.gz ODRRMVVCACAERE-RBUKOAKNSA-N 1 3 404.624 3.520 20 0 HHADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000491024358 1000035436 /nfs/dbraw/zinc/03/54/36/1000035436.db2.gz XDBQTPSKSWXUNU-OTPAQWSUSA-N 1 3 420.601 3.958 20 0 HHADHO C[C@H]1CN(CCSc2ccnc3cc(Cl)ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000492782497 1000143755 /nfs/dbraw/zinc/14/37/55/1000143755.db2.gz HIMSNXDTODOBJS-UWJYYQICSA-N 1 3 419.038 3.938 20 0 HHADHO COc1ccc([C@@H]2CCN([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000504521326 1000248431 /nfs/dbraw/zinc/24/84/31/1000248431.db2.gz KPTLFXOSCOPRTF-NZQKXSOJSA-N 1 3 421.585 3.654 20 0 HHADHO Cc1nc2ccc(CNCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2s1 ZINC000494028837 1000276016 /nfs/dbraw/zinc/27/60/16/1000276016.db2.gz TYNYYUZVFVRIIA-FQEVSTJZSA-N 1 3 408.571 3.592 20 0 HHADHO Cc1nc2ccc(CNCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2s1 ZINC000494028837 1000276019 /nfs/dbraw/zinc/27/60/19/1000276019.db2.gz TYNYYUZVFVRIIA-FQEVSTJZSA-N 1 3 408.571 3.592 20 0 HHADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000504888159 1000429037 /nfs/dbraw/zinc/42/90/37/1000429037.db2.gz HHAQSUGPQYOTJF-XMMPIXPASA-N 1 3 406.574 3.746 20 0 HHADHO C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000504915567 1000445969 /nfs/dbraw/zinc/44/59/69/1000445969.db2.gz URKYKKBCLUOBSL-OAQYLSRUSA-N 1 3 410.562 3.550 20 0 HHADHO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1S(C)(=O)=O ZINC000495441032 1001013461 /nfs/dbraw/zinc/01/34/61/1001013461.db2.gz ZSQKYHWRLRKPTQ-WFXMLNOXSA-N 1 3 416.587 3.660 20 0 HHADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1 ZINC000497446152 1001369920 /nfs/dbraw/zinc/36/99/20/1001369920.db2.gz SCQKNKJMBXERQB-LAUBAEHRSA-N 1 3 400.542 3.857 20 0 HHADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594714 1001451613 /nfs/dbraw/zinc/45/16/13/1001451613.db2.gz CNBMSAJGYYORPF-YLJYHZDGSA-N 1 3 424.511 3.578 20 0 HHADHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN3CCC2CC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000497594714 1001451615 /nfs/dbraw/zinc/45/16/15/1001451615.db2.gz CNBMSAJGYYORPF-YLJYHZDGSA-N 1 3 424.511 3.578 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793696 1001533269 /nfs/dbraw/zinc/53/32/69/1001533269.db2.gz BPQAATIPEMKSSA-MQSCRBSSSA-N 1 3 400.611 3.803 20 0 HHADHO C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)N(C)Cc1ccccc1 ZINC000506793696 1001533272 /nfs/dbraw/zinc/53/32/72/1001533272.db2.gz BPQAATIPEMKSSA-MQSCRBSSSA-N 1 3 400.611 3.803 20 0 HHADHO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000498515897 1001939199 /nfs/dbraw/zinc/93/91/99/1001939199.db2.gz VEYLXEJOHYEGJS-UHFFFAOYSA-N 1 3 414.638 3.801 20 0 HHADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000498515897 1001939214 /nfs/dbraw/zinc/93/92/14/1001939214.db2.gz VEYLXEJOHYEGJS-UHFFFAOYSA-N 1 3 414.638 3.801 20 0 HHADHO O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000498526207 1001946995 /nfs/dbraw/zinc/94/69/95/1001946995.db2.gz VBFPVKNJXLLVMT-JOCHJYFZSA-N 1 3 423.523 3.775 20 0 HHADHO C[NH+](C)CCC1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000498638755 1002040351 /nfs/dbraw/zinc/04/03/51/1002040351.db2.gz OBTFEJIVWSOSFD-OAQYLSRUSA-N 1 3 411.512 3.631 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498691477 1002078267 /nfs/dbraw/zinc/07/82/67/1002078267.db2.gz CZRKDOUSLNAUIM-TUSQITKMSA-N 1 3 420.601 3.813 20 0 HHADHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691477 1002078274 /nfs/dbraw/zinc/07/82/74/1002078274.db2.gz CZRKDOUSLNAUIM-TUSQITKMSA-N 1 3 420.601 3.813 20 0 HHADHO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000507533040 1002141117 /nfs/dbraw/zinc/14/11/17/1002141117.db2.gz SSZGWOJWGVLPQG-QLBJFCOMSA-N 1 3 403.570 3.791 20 0 HHADHO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000507533037 1002141138 /nfs/dbraw/zinc/14/11/38/1002141138.db2.gz SSZGWOJWGVLPQG-PZUNEJSGSA-N 1 3 403.570 3.791 20 0 HHADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCN2CCN(c4ccccc4)CC2)C3)cc1 ZINC000499141364 1002525253 /nfs/dbraw/zinc/52/52/53/1002525253.db2.gz LJQDFLGUZVERJM-PQEXVNNFSA-N 1 3 418.629 3.984 20 0 HHADHO CCc1cc(N2CCC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148871 1002532232 /nfs/dbraw/zinc/53/22/32/1002532232.db2.gz UIGFGNGJEOYEPU-XQUALCHDSA-N 1 3 405.590 3.793 20 0 HHADHO CCc1cc(N2CCC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC000499148871 1002532241 /nfs/dbraw/zinc/53/22/41/1002532241.db2.gz UIGFGNGJEOYEPU-XQUALCHDSA-N 1 3 405.590 3.793 20 0 HHADHO Fc1ccc([C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)N2CCOCC2)cc1 ZINC000499153065 1002537059 /nfs/dbraw/zinc/53/70/59/1002537059.db2.gz QQFWESJJDOQJAU-QYOOZWMWSA-N 1 3 423.576 3.984 20 0 HHADHO COc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc(Br)c1OC(F)F ZINC000508544720 1003019961 /nfs/dbraw/zinc/01/99/61/1003019961.db2.gz MLCLYNNRFFCIDA-LBPRGKRZSA-N 1 3 407.299 3.833 20 0 HHADHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc(Br)c1OC(F)F ZINC000508544720 1003019971 /nfs/dbraw/zinc/01/99/71/1003019971.db2.gz MLCLYNNRFFCIDA-LBPRGKRZSA-N 1 3 407.299 3.833 20 0 HHADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CN1C1CC1 ZINC000499662559 1003021520 /nfs/dbraw/zinc/02/15/20/1003021520.db2.gz HOOIPNQLGHPVAH-QPPBQGQZSA-N 1 3 404.602 3.724 20 0 HHADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000508693534 1003130731 /nfs/dbraw/zinc/13/07/31/1003130731.db2.gz CYAQCZZDIGLNNW-GIFXNVAJSA-N 1 3 406.618 3.697 20 0 HHADHO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508716823 1003156660 /nfs/dbraw/zinc/15/66/60/1003156660.db2.gz LFJRDIGJZYALLF-ZWSUVBHBSA-N 1 3 411.565 3.699 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000508906765 1003344736 /nfs/dbraw/zinc/34/47/36/1003344736.db2.gz OHENNLFGMQDVDK-QXUYBEEESA-N 1 3 400.611 3.974 20 0 HHADHO C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H](c1ccccc1)N(C)C ZINC000508906765 1003344748 /nfs/dbraw/zinc/34/47/48/1003344748.db2.gz OHENNLFGMQDVDK-QXUYBEEESA-N 1 3 400.611 3.974 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109754 1003472308 /nfs/dbraw/zinc/47/23/08/1003472308.db2.gz IWIFLAGTAMZMHY-JXALWOEJSA-N 1 3 421.589 3.569 20 0 HHADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000500109754 1003472311 /nfs/dbraw/zinc/47/23/11/1003472311.db2.gz IWIFLAGTAMZMHY-JXALWOEJSA-N 1 3 421.589 3.569 20 0 HHADHO CCCN(CC[NH+]1CCCCC1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000500110244 1003472326 /nfs/dbraw/zinc/47/23/26/1003472326.db2.gz KBMLTHCXWAFDBY-HXUWFJFHSA-N 1 3 401.599 3.515 20 0 HHADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)CCOc1ccc(Br)cc1 ZINC000500120904 1003482458 /nfs/dbraw/zinc/48/24/58/1003482458.db2.gz YQQKFFHKQFFEAG-UHFFFAOYSA-N 1 3 412.416 3.566 20 0 HHADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)CCOc1ccc(Br)cc1 ZINC000500120904 1003482462 /nfs/dbraw/zinc/48/24/62/1003482462.db2.gz YQQKFFHKQFFEAG-UHFFFAOYSA-N 1 3 412.416 3.566 20 0 HHADHO C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000500131826 1003492934 /nfs/dbraw/zinc/49/29/34/1003492934.db2.gz NMGQWZQTCAOZJR-YDHSSHFGSA-N 1 3 409.578 3.598 20 0 HHADHO Cc1cc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1Br ZINC000512009227 1003950817 /nfs/dbraw/zinc/95/08/17/1003950817.db2.gz SKIJWRIOHUVSIA-KBPBESRZSA-N 1 3 404.418 3.562 20 0 HHADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccco1 ZINC000509579141 1003957684 /nfs/dbraw/zinc/95/76/84/1003957684.db2.gz TZZQNTRZQNGCFY-HBMCJLEFSA-N 1 3 404.599 3.862 20 0 HHADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171293 1004075012 /nfs/dbraw/zinc/07/50/12/1004075012.db2.gz GPSUOHDFRWCXSN-PKTZIBPZSA-N 1 3 408.590 3.889 20 0 HHADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000512171293 1004075018 /nfs/dbraw/zinc/07/50/18/1004075018.db2.gz GPSUOHDFRWCXSN-PKTZIBPZSA-N 1 3 408.590 3.889 20 0 HHADHO COc1ccc(NC(=O)CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501023616 1004126960 /nfs/dbraw/zinc/12/69/60/1004126960.db2.gz UARZEHBHSKEXNW-UHFFFAOYSA-N 1 3 402.926 3.531 20 0 HHADHO CCOc1ccccc1[C@H](CC)NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027884 1004131548 /nfs/dbraw/zinc/13/15/48/1004131548.db2.gz WXPHXATZRGSWDZ-QHCPKHFHSA-N 1 3 424.589 3.896 20 0 HHADHO CN(CC(=O)N(C)Cc1c(F)cccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501043004 1004143777 /nfs/dbraw/zinc/14/37/77/1004143777.db2.gz DAGSUFXVXCCUDB-UHFFFAOYSA-N 1 3 418.944 3.681 20 0 HHADHO CN(CC(=O)Nc1ccnn1CC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066979 1004169363 /nfs/dbraw/zinc/16/93/63/1004169363.db2.gz HFPPNFLHLIEMDY-UHFFFAOYSA-N 1 3 424.593 3.645 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512279436 1004181114 /nfs/dbraw/zinc/18/11/14/1004181114.db2.gz TZFIBVOMYFDKMU-SANMLTNESA-N 1 3 417.553 3.661 20 0 HHADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512279436 1004181123 /nfs/dbraw/zinc/18/11/23/1004181123.db2.gz TZFIBVOMYFDKMU-SANMLTNESA-N 1 3 417.553 3.661 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)c1 ZINC000512324793 1004217944 /nfs/dbraw/zinc/21/79/44/1004217944.db2.gz SKTQBFKOHQWZHH-KSZLIROESA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c(OC)c1 ZINC000512324793 1004217925 /nfs/dbraw/zinc/21/79/25/1004217925.db2.gz SKTQBFKOHQWZHH-KSZLIROESA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(OC)c1 ZINC000512324793 1004217937 /nfs/dbraw/zinc/21/79/37/1004217937.db2.gz SKTQBFKOHQWZHH-KSZLIROESA-N 1 3 403.567 3.664 20 0 HHADHO COc1ccc(-c2n[nH]cc2CN(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000512359882 1004245677 /nfs/dbraw/zinc/24/56/77/1004245677.db2.gz OHUIVFRBKVGAPZ-UHFFFAOYSA-N 1 3 405.546 3.619 20 0 HHADHO Cn1nccc1-c1ccccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000509993214 1004252349 /nfs/dbraw/zinc/25/23/49/1004252349.db2.gz SFLHWTBWDFAXKX-UHFFFAOYSA-N 1 3 417.601 3.775 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501375357 1004375555 /nfs/dbraw/zinc/37/55/55/1004375555.db2.gz ALOJFCKPBFXUPO-NZQKXSOJSA-N 1 3 400.611 3.635 20 0 HHADHO CC[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)N1CCc2ccccc2C1 ZINC000501375357 1004375564 /nfs/dbraw/zinc/37/55/64/1004375564.db2.gz ALOJFCKPBFXUPO-NZQKXSOJSA-N 1 3 400.611 3.635 20 0 HHADHO CN(CCCOc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512581541 1004399333 /nfs/dbraw/zinc/39/93/33/1004399333.db2.gz IIMKVDZXDRFBKT-SJPCQFCGSA-N 1 3 414.331 3.617 20 0 HHADHO CN(CCCOc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512581541 1004399336 /nfs/dbraw/zinc/39/93/36/1004399336.db2.gz IIMKVDZXDRFBKT-SJPCQFCGSA-N 1 3 414.331 3.617 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618277 1004431206 /nfs/dbraw/zinc/43/12/06/1004431206.db2.gz IACZVNHJWFHTPF-PDSFRDGWSA-N 1 3 416.512 3.595 20 0 HHADHO O[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COc1ccc(F)c(F)c1 ZINC000512618277 1004431215 /nfs/dbraw/zinc/43/12/15/1004431215.db2.gz IACZVNHJWFHTPF-PDSFRDGWSA-N 1 3 416.512 3.595 20 0 HHADHO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512661849 1004472795 /nfs/dbraw/zinc/47/27/95/1004472795.db2.gz USGQVUBHTVRHEZ-XPWALMASSA-N 1 3 419.569 3.692 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664570 1004475597 /nfs/dbraw/zinc/47/55/97/1004475597.db2.gz AGGAYOSRUVRURH-CNNODRBYSA-N 1 3 413.512 3.585 20 0 HHADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000512664570 1004475605 /nfs/dbraw/zinc/47/56/05/1004475605.db2.gz AGGAYOSRUVRURH-CNNODRBYSA-N 1 3 413.512 3.585 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512710942 1004509745 /nfs/dbraw/zinc/50/97/45/1004509745.db2.gz CLEZMDAWXODRKZ-IFMALSPDSA-N 1 3 412.622 3.945 20 0 HHADHO C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512710942 1004509754 /nfs/dbraw/zinc/50/97/54/1004509754.db2.gz CLEZMDAWXODRKZ-IFMALSPDSA-N 1 3 412.622 3.945 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512821667 1004580863 /nfs/dbraw/zinc/58/08/63/1004580863.db2.gz CWFMIPVCUKVORZ-HZPDHXFCSA-N 1 3 404.448 3.809 20 0 HHADHO FC(F)OC[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000512821667 1004580871 /nfs/dbraw/zinc/58/08/71/1004580871.db2.gz CWFMIPVCUKVORZ-HZPDHXFCSA-N 1 3 404.448 3.809 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000501680419 1004595375 /nfs/dbraw/zinc/59/53/75/1004595375.db2.gz GBVUWZOTNLFJIQ-UHFFFAOYSA-N 1 3 420.601 3.743 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000512919526 1004692357 /nfs/dbraw/zinc/69/23/57/1004692357.db2.gz ZXISDTNPKOICBA-UNMCSNQZSA-N 1 3 404.599 3.592 20 0 HHADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000512919526 1004692364 /nfs/dbraw/zinc/69/23/64/1004692364.db2.gz ZXISDTNPKOICBA-UNMCSNQZSA-N 1 3 404.599 3.592 20 0 HHADHO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000501785718 1004727797 /nfs/dbraw/zinc/72/77/97/1004727797.db2.gz MTZJPJKDKHNHDE-UHFFFAOYSA-N 1 3 411.472 3.574 20 0 HHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000513356785 1004924708 /nfs/dbraw/zinc/92/47/08/1004924708.db2.gz IHLQCMPYQVUPHN-AUSIDOKSSA-N 1 3 402.627 3.860 20 0 HHADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448295 1004970917 /nfs/dbraw/zinc/97/09/17/1004970917.db2.gz QZXBVJMIAPRFBL-NQIIRXRSSA-N 1 3 411.512 3.822 20 0 HHADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000513448295 1004970921 /nfs/dbraw/zinc/97/09/21/1004970921.db2.gz QZXBVJMIAPRFBL-NQIIRXRSSA-N 1 3 411.512 3.822 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511266315 1005098320 /nfs/dbraw/zinc/09/83/20/1005098320.db2.gz DEQCDJNKJXRVJH-MJGOQNOKSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511266315 1005098325 /nfs/dbraw/zinc/09/83/25/1005098325.db2.gz DEQCDJNKJXRVJH-MJGOQNOKSA-N 1 3 422.564 3.691 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511267523 1005098783 /nfs/dbraw/zinc/09/87/83/1005098783.db2.gz IWNNZVORNUTGHO-QUCCMNQESA-N 1 3 404.574 3.552 20 0 HHADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511267523 1005098787 /nfs/dbraw/zinc/09/87/87/1005098787.db2.gz IWNNZVORNUTGHO-QUCCMNQESA-N 1 3 404.574 3.552 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2)CC1 ZINC000511291086 1005110328 /nfs/dbraw/zinc/11/03/28/1005110328.db2.gz UVHJCFAFHWLWLV-IRLDBZIGSA-N 1 3 412.622 3.600 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2)CC1 ZINC000511291086 1005110334 /nfs/dbraw/zinc/11/03/34/1005110334.db2.gz UVHJCFAFHWLWLV-IRLDBZIGSA-N 1 3 412.622 3.600 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2)CC1 ZINC000511291088 1005110359 /nfs/dbraw/zinc/11/03/59/1005110359.db2.gz UVHJCFAFHWLWLV-UNMCSNQZSA-N 1 3 412.622 3.600 20 0 HHADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2)CC1 ZINC000511291088 1005110364 /nfs/dbraw/zinc/11/03/64/1005110364.db2.gz UVHJCFAFHWLWLV-UNMCSNQZSA-N 1 3 412.622 3.600 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000503212139 1005369659 /nfs/dbraw/zinc/36/96/59/1005369659.db2.gz MSWVMEBWYFXOLH-VTZPFEBOSA-N 1 3 420.601 3.686 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000503212139 1005369662 /nfs/dbraw/zinc/36/96/62/1005369662.db2.gz MSWVMEBWYFXOLH-VTZPFEBOSA-N 1 3 420.601 3.686 20 0 HHADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503385021 1005404519 /nfs/dbraw/zinc/40/45/19/1005404519.db2.gz BCYWRIRBQKNOFW-OAQYLSRUSA-N 1 3 422.683 3.646 20 0 HHADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503400025 1005408458 /nfs/dbraw/zinc/40/84/58/1005408458.db2.gz MZJGTCSBUOMMJU-DNQXCXABSA-N 1 3 412.622 3.949 20 0 HHADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000503401707 1005408979 /nfs/dbraw/zinc/40/89/79/1005408979.db2.gz QWDIRBCFTQGISQ-GPXNEJASSA-N 1 3 412.622 3.975 20 0 HHADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)CC1 ZINC000503476024 1005431962 /nfs/dbraw/zinc/43/19/62/1005431962.db2.gz VMVOSQOGPOADFT-LADGPHEKSA-N 1 3 412.622 3.977 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496495 1005437186 /nfs/dbraw/zinc/43/71/86/1005437186.db2.gz AELGUIYGNZLOBB-ZCYQVOJMSA-N 1 3 422.617 3.716 20 0 HHADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)N(C)C)cc1 ZINC000503496495 1005437189 /nfs/dbraw/zinc/43/71/89/1005437189.db2.gz AELGUIYGNZLOBB-ZCYQVOJMSA-N 1 3 422.617 3.716 20 0 HHADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000514564965 1006038849 /nfs/dbraw/zinc/03/88/49/1006038849.db2.gz RFTGPVFJVNAKTI-HXUWFJFHSA-N 1 3 400.592 3.658 20 0 HHADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000514566390 1006039397 /nfs/dbraw/zinc/03/93/97/1006039397.db2.gz RSECXHFJLFUPSO-HSZRJFAPSA-N 1 3 410.562 3.723 20 0 HHADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1F ZINC000534253968 1006263166 /nfs/dbraw/zinc/26/31/66/1006263166.db2.gz LZGYBUIEFXMLBT-FQEVSTJZSA-N 1 3 402.514 3.507 20 0 HHADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910807 1006514935 /nfs/dbraw/zinc/51/49/35/1006514935.db2.gz AQOLCXOXPYBZSX-FQEVSTJZSA-N 1 3 422.960 3.875 20 0 HHADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cc(Cl)cc4cccnc43)c2)C1 ZINC000531910807 1006514947 /nfs/dbraw/zinc/51/49/47/1006514947.db2.gz AQOLCXOXPYBZSX-FQEVSTJZSA-N 1 3 422.960 3.875 20 0 HHADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1OC(F)F ZINC000531989365 1006564381 /nfs/dbraw/zinc/56/43/81/1006564381.db2.gz QRGJJFNYIBVSIQ-CQSZACIVSA-N 1 3 410.896 3.939 20 0 HHADHO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)ccc1OC(F)F ZINC000531989365 1006564391 /nfs/dbraw/zinc/56/43/91/1006564391.db2.gz QRGJJFNYIBVSIQ-CQSZACIVSA-N 1 3 410.896 3.939 20 0 HHADHO CN(c1ccccc1CNCc1ccc(Cn2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC000532106859 1006641046 /nfs/dbraw/zinc/64/10/46/1006641046.db2.gz UMRPHSRTRLOMLB-UHFFFAOYSA-N 1 3 403.574 3.752 20 0 HHADHO COc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000532248937 1006748089 /nfs/dbraw/zinc/74/80/89/1006748089.db2.gz GZWVWCTWOJXEIQ-QGZVFWFLSA-N 1 3 403.567 3.808 20 0 HHADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000532506822 1006946494 /nfs/dbraw/zinc/94/64/94/1006946494.db2.gz NJSJKKUHYBUXLS-BOSCWZPRSA-N 1 3 413.587 3.904 20 0 HHADHO C[C@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000538723851 1007000279 /nfs/dbraw/zinc/00/02/79/1007000279.db2.gz DETVECICVDPUJH-NBGIEHNGSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC[C@H]1N1CCN(C)CC1 ZINC000538723851 1007000293 /nfs/dbraw/zinc/00/02/93/1007000293.db2.gz DETVECICVDPUJH-NBGIEHNGSA-N 1 3 411.565 3.863 20 0 HHADHO C[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000538724316 1007001933 /nfs/dbraw/zinc/00/19/33/1007001933.db2.gz DPRIXBFTKQZLAU-DYESRHJHSA-N 1 3 403.517 3.899 20 0 HHADHO C[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC[C@H]1N1CCN(C)CC1 ZINC000538724316 1007001946 /nfs/dbraw/zinc/00/19/46/1007001946.db2.gz DPRIXBFTKQZLAU-DYESRHJHSA-N 1 3 403.517 3.899 20 0 HHADHO Cc1cc(C)cc(C2=CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000538774973 1007056882 /nfs/dbraw/zinc/05/68/82/1007056882.db2.gz BTPRLSBMUFSOHP-UHFFFAOYSA-N 1 3 410.606 3.661 20 0 HHADHO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915799 1007201044 /nfs/dbraw/zinc/20/10/44/1007201044.db2.gz XBUAPWJQMXIXAN-DEOSSOPVSA-N 1 3 412.622 3.654 20 0 HHADHO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1)CC1CC1 ZINC000538915799 1007201052 /nfs/dbraw/zinc/20/10/52/1007201052.db2.gz XBUAPWJQMXIXAN-DEOSSOPVSA-N 1 3 412.622 3.654 20 0 HHADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000539062471 1007355419 /nfs/dbraw/zinc/35/54/19/1007355419.db2.gz XOUXPIMHUZZEOX-GUDVDZBRSA-N 1 3 409.368 3.630 20 0 HHADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)(F)F)c1 ZINC000539070015 1007362389 /nfs/dbraw/zinc/36/23/89/1007362389.db2.gz DWRPNBXXAIKXEZ-OAHLLOKOSA-N 1 3 409.452 3.727 20 0 HHADHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539075734 1007366640 /nfs/dbraw/zinc/36/66/40/1007366640.db2.gz JWQZILSUTYWUGK-HRCADAONSA-N 1 3 401.364 3.998 20 0 HHADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000533038188 1007398546 /nfs/dbraw/zinc/39/85/46/1007398546.db2.gz XAROVNQFJVOUFF-QFIPXVFZSA-N 1 3 421.633 3.929 20 0 HHADHO C[C@@H]1CN(CCOC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000539150136 1007446304 /nfs/dbraw/zinc/44/63/04/1007446304.db2.gz WUXVXTCWTAAAKM-CALCHBBNSA-N 1 3 411.384 3.539 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149389 1007462478 /nfs/dbraw/zinc/46/24/78/1007462478.db2.gz RTPVCVAFJIAXOE-FQEVSTJZSA-N 1 3 400.592 3.657 20 0 HHADHO CN(C)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccsc1 ZINC000517149389 1007462487 /nfs/dbraw/zinc/46/24/87/1007462487.db2.gz RTPVCVAFJIAXOE-FQEVSTJZSA-N 1 3 400.592 3.657 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399050 1007465310 /nfs/dbraw/zinc/46/53/10/1007465310.db2.gz UZMIPCXSXSSPDV-CZAYHTPWSA-N 1 3 412.603 3.876 20 0 HHADHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H]1c1ccccc1 ZINC000535399050 1007465316 /nfs/dbraw/zinc/46/53/16/1007465316.db2.gz UZMIPCXSXSSPDV-CZAYHTPWSA-N 1 3 412.603 3.876 20 0 HHADHO CC(C)[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539217539 1007508646 /nfs/dbraw/zinc/50/86/46/1007508646.db2.gz LQXLPBRZYWVZSL-QHCPKHFHSA-N 1 3 409.530 3.977 20 0 HHADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000535509468 1007565180 /nfs/dbraw/zinc/56/51/80/1007565180.db2.gz VRKSAMRLYRYRFF-FZKQIMNGSA-N 1 3 400.792 3.705 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N(Cc3ccc(F)cc3)CC3CC3)CC2)CC1 ZINC000517345360 1007583722 /nfs/dbraw/zinc/58/37/22/1007583722.db2.gz WXEQIJSUIYNTAN-UHFFFAOYSA-N 1 3 401.570 3.761 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3cccc(C[N@@H+]4CC[C@@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014520 1008103238 /nfs/dbraw/zinc/10/32/38/1008103238.db2.gz MNOPFRFOHOOKGS-DNQXCXABSA-N 1 3 404.562 3.590 20 0 HHADHO Cc1cnn([C@@H]2CCN(Cc3cccc(C[N@H+]4CC[C@@H](n5cc(C)cn5)C4)c3)C2)c1 ZINC000518014520 1008103241 /nfs/dbraw/zinc/10/32/41/1008103241.db2.gz MNOPFRFOHOOKGS-DNQXCXABSA-N 1 3 404.562 3.590 20 0 HHADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000539824400 1008119329 /nfs/dbraw/zinc/11/93/29/1008119329.db2.gz CHBHLSBAUFELER-UHFFFAOYSA-N 1 3 418.532 3.844 20 0 HHADHO CCc1nc(C)c([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000540170740 1008320871 /nfs/dbraw/zinc/32/08/71/1008320871.db2.gz VJVKMUDQIKJADL-INIZCTEOSA-N 1 3 400.592 3.690 20 0 HHADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000540172728 1008322003 /nfs/dbraw/zinc/32/20/03/1008322003.db2.gz UMHYAPWPOWZWIK-OAGGEKHMSA-N 1 3 401.364 3.998 20 0 HHADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000540176497 1008323519 /nfs/dbraw/zinc/32/35/19/1008323519.db2.gz ROWNZWDKYXEIMV-FQEVSTJZSA-N 1 3 421.463 3.654 20 0 HHADHO CN1CCC2(CC1)C[C@@H]([NH2+]C1CCN(Cc3ccccn3)CC1)c1ccccc1O2 ZINC000540475003 1008446026 /nfs/dbraw/zinc/44/60/26/1008446026.db2.gz JHRRVIDUPKKYJF-HSZRJFAPSA-N 1 3 406.574 3.624 20 0 HHADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCC(=O)N1Cc3ccccc3C1)c1ccccc1O2 ZINC000540496155 1008455336 /nfs/dbraw/zinc/45/53/36/1008455336.db2.gz XHADPLYDTDNPQL-QHCPKHFHSA-N 1 3 419.569 3.887 20 0 HHADHO Cc1ccc(Cc2ccccn2)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000549063709 1008629327 /nfs/dbraw/zinc/62/93/27/1008629327.db2.gz KGJGWILRTKPTRE-UHFFFAOYSA-N 1 3 421.589 3.661 20 0 HHADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1 ZINC000519295134 1008706798 /nfs/dbraw/zinc/70/67/98/1008706798.db2.gz HUECXDJZICKDTD-XMMPIXPASA-N 1 3 408.590 3.604 20 0 HHADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000519988644 1009136095 /nfs/dbraw/zinc/13/60/95/1009136095.db2.gz DKDNBTVKORILME-XMMPIXPASA-N 1 3 408.590 3.815 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775953 1009344189 /nfs/dbraw/zinc/34/41/89/1009344189.db2.gz SJMTUURQWDAFJF-LAUBAEHRSA-N 1 3 414.546 3.520 20 0 HHADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000543775953 1009344203 /nfs/dbraw/zinc/34/42/03/1009344203.db2.gz SJMTUURQWDAFJF-LAUBAEHRSA-N 1 3 414.546 3.520 20 0 HHADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000520406091 1009536211 /nfs/dbraw/zinc/53/62/11/1009536211.db2.gz ZMGJJCSPYSMWTN-WOJBJXKFSA-N 1 3 406.590 3.657 20 0 HHADHO CCCCOc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000544596024 1010221805 /nfs/dbraw/zinc/22/18/05/1010221805.db2.gz IJVHUXIZIJGUAM-UHFFFAOYSA-N 1 3 403.611 3.724 20 0 HHADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000547426729 1010299956 /nfs/dbraw/zinc/29/99/56/1010299956.db2.gz KJBBCSSFCBKAJR-RPWUZVMVSA-N 1 3 408.590 3.566 20 0 HHADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000547426729 1010299964 /nfs/dbraw/zinc/29/99/64/1010299964.db2.gz KJBBCSSFCBKAJR-RPWUZVMVSA-N 1 3 408.590 3.566 20 0 HHADHO CS(=O)(=O)C[C@H](NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000550997732 1010307884 /nfs/dbraw/zinc/30/78/84/1010307884.db2.gz PEHYHLFWTXZYIS-DEOSSOPVSA-N 1 3 412.599 3.862 20 0 HHADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000551005383 1010312064 /nfs/dbraw/zinc/31/20/64/1010312064.db2.gz KVNVOLXDKFEXAD-XMMPIXPASA-N 1 3 409.574 3.852 20 0 HHADHO CN1CC[C@@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000551005622 1010312751 /nfs/dbraw/zinc/31/27/51/1010312751.db2.gz MRXWJOLSVUTPPF-FTJBHMTQSA-N 1 3 406.618 3.619 20 0 HHADHO C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511431 1010334835 /nfs/dbraw/zinc/33/48/35/1010334835.db2.gz FUJKBGHDXLUKQY-WWNPGLIZSA-N 1 3 412.647 3.537 20 0 HHADHO C[C@H](NC[C@@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511431 1010334848 /nfs/dbraw/zinc/33/48/48/1010334848.db2.gz FUJKBGHDXLUKQY-WWNPGLIZSA-N 1 3 412.647 3.537 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092684 1010361337 /nfs/dbraw/zinc/36/13/37/1010361337.db2.gz ACYALJMOCGXOQB-DENIHFKCSA-N 1 3 404.558 3.530 20 0 HHADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551092684 1010361346 /nfs/dbraw/zinc/36/13/46/1010361346.db2.gz ACYALJMOCGXOQB-DENIHFKCSA-N 1 3 404.558 3.530 20 0 HHADHO COc1ccc([C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)N2CCCC2)cc1 ZINC000521509399 1010423788 /nfs/dbraw/zinc/42/37/88/1010423788.db2.gz CAXBREXZYUGFTN-ZEQRLZLVSA-N 1 3 424.589 3.743 20 0 HHADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000547842965 1010446198 /nfs/dbraw/zinc/44/61/98/1010446198.db2.gz DKDOVUYYSSEMEN-OFNKIYASSA-N 1 3 401.595 3.539 20 0 HHADHO C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)N1[C@H](C)CC[C@@H]1C ZINC000521797477 1010626023 /nfs/dbraw/zinc/62/60/23/1010626023.db2.gz UUTYCWNQDCIETQ-OTWHNJEPSA-N 1 3 400.567 3.701 20 0 HHADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000521857866 1010666939 /nfs/dbraw/zinc/66/69/39/1010666939.db2.gz BATKICGRGCVPDU-XMMPIXPASA-N 1 3 406.574 3.804 20 0 HHADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000521857866 1010666945 /nfs/dbraw/zinc/66/69/45/1010666945.db2.gz BATKICGRGCVPDU-XMMPIXPASA-N 1 3 406.574 3.804 20 0 HHADHO CC1CCC(N2CCN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)CC1 ZINC000522419775 1010996630 /nfs/dbraw/zinc/99/66/30/1010996630.db2.gz FWEMYNABHDVDGB-UHFFFAOYSA-N 1 3 418.651 3.866 20 0 HHADHO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522865925 1011307015 /nfs/dbraw/zinc/30/70/15/1011307015.db2.gz LTVWWCXDXYQHIT-JOCHJYFZSA-N 1 3 424.614 3.524 20 0 HHADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000540991991 1011625022 /nfs/dbraw/zinc/62/50/22/1011625022.db2.gz PJICROUCUPGIPL-UHFFFAOYSA-N 1 3 416.585 3.710 20 0 HHADHO CC[NH+](CC)CCCC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000541167108 1011838361 /nfs/dbraw/zinc/83/83/61/1011838361.db2.gz CUHKOAWKQKNSPM-UHFFFAOYSA-N 1 3 414.638 3.559 20 0 HHADHO CCN(CC)[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000536747414 1011934700 /nfs/dbraw/zinc/93/47/00/1011934700.db2.gz XAKKATZSCZNQIG-NRFANRHFSA-N 1 3 415.607 3.742 20 0 HHADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000552057908 1012075356 /nfs/dbraw/zinc/07/53/56/1012075356.db2.gz MJTPEAVEYGAADN-PKTZIBPZSA-N 1 3 408.030 3.736 20 0 HHADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536859285 1012093158 /nfs/dbraw/zinc/09/31/58/1012093158.db2.gz SZTUQVQVXKHWQN-ULQDDVLXSA-N 1 3 411.974 3.545 20 0 HHADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[C@@H](C)O1 ZINC000536863138 1012099296 /nfs/dbraw/zinc/09/92/96/1012099296.db2.gz MEBRRRUTZZIKRM-QZTJIDSGSA-N 1 3 411.993 3.923 20 0 HHADHO Cc1cc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388566 1012111071 /nfs/dbraw/zinc/11/10/71/1012111071.db2.gz IYJIXXWCHDOOLV-HSZRJFAPSA-N 1 3 402.542 3.530 20 0 HHADHO Cc1cc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc2cccnc12 ZINC000541388566 1012111078 /nfs/dbraw/zinc/11/10/78/1012111078.db2.gz IYJIXXWCHDOOLV-HSZRJFAPSA-N 1 3 402.542 3.530 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599469 1012392190 /nfs/dbraw/zinc/39/21/90/1012392190.db2.gz FVAOWGDOJIQWDY-MPGHIAIKSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599469 1012392195 /nfs/dbraw/zinc/39/21/95/1012392195.db2.gz FVAOWGDOJIQWDY-MPGHIAIKSA-N 1 3 401.378 3.976 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000552420892 1012437953 /nfs/dbraw/zinc/43/79/53/1012437953.db2.gz YAOFOFDUAIEQIW-DWLFOUALSA-N 1 3 419.560 3.913 20 0 HHADHO C[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000552420892 1012437962 /nfs/dbraw/zinc/43/79/62/1012437962.db2.gz YAOFOFDUAIEQIW-DWLFOUALSA-N 1 3 419.560 3.913 20 0 HHADHO CCc1ccc([C@@H](CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)N(C)C)cc1 ZINC000552923950 1012923745 /nfs/dbraw/zinc/92/37/45/1012923745.db2.gz SZZVPGZVFAGEOM-RUZDIDTESA-N 1 3 422.617 3.812 20 0 HHADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)CC1 ZINC000552971443 1012954700 /nfs/dbraw/zinc/95/47/00/1012954700.db2.gz XQFUIHAVWNXMMO-HXUWFJFHSA-N 1 3 405.583 3.675 20 0 HHADHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+]([C@H]1Cc3ccc(OC)cc3C1)CC2 ZINC001168266288 1071831116 /nfs/dbraw/zinc/83/11/16/1071831116.db2.gz DICARIGBNRFAEE-ZEQRLZLVSA-N 1 3 421.585 3.561 20 0 HHADHO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001126870378 1072858194 /nfs/dbraw/zinc/85/81/94/1072858194.db2.gz RUADQYDYWCAYCI-LFRSYBKYSA-N 1 3 421.585 3.763 20 0 HHADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228032 1073273935 /nfs/dbraw/zinc/27/39/35/1073273935.db2.gz TVQONZCHQHWFSI-OUFMZXHOSA-N 1 3 402.579 3.895 20 0 HHADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)[C@@H](C)C1 ZINC000555228032 1073273938 /nfs/dbraw/zinc/27/39/38/1073273938.db2.gz TVQONZCHQHWFSI-OUFMZXHOSA-N 1 3 402.579 3.895 20 0 HHADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000591711887 1074501670 /nfs/dbraw/zinc/50/16/70/1074501670.db2.gz BKEYFARYTQHYQL-IBGZPJMESA-N 1 3 414.619 3.857 20 0 HHADHO CC[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)N1CCc2ccccc2C1 ZINC000593500090 1075204837 /nfs/dbraw/zinc/20/48/37/1075204837.db2.gz LSINLJXYZBAQJB-QHCPKHFHSA-N 1 3 424.589 3.976 20 0 HHADHO Fc1cccc(N(c2ccc(CN3CCCC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164656431 719297296 /nfs/dbraw/zinc/29/72/96/719297296.db2.gz XHKLKXFRCRMWFF-UPVQGACJSA-N 1 3 410.537 3.866 20 0 HHADHO Cc1cc(C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164683367 719657316 /nfs/dbraw/zinc/65/73/16/719657316.db2.gz VDPXJRDTRVSDCT-NRFANRHFSA-N 1 3 420.601 3.792 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019578 721802537 /nfs/dbraw/zinc/80/25/37/721802537.db2.gz DCZLQIYYLYKKQC-ILWGZMRPSA-N 1 3 406.578 3.517 20 0 HHADHO Cc1nc(N2CCCC2)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165019578 721802539 /nfs/dbraw/zinc/80/25/39/721802539.db2.gz DCZLQIYYLYKKQC-ILWGZMRPSA-N 1 3 406.578 3.517 20 0 HHADHO